Amrinone

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Amrinone are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Amrinone?

The molecule Amrinone presents a molecular formula of C10H9N3O and its IUPAC name is 3-amino-5-pyridin-4-yl-1H-pyridin-2-one.

Amrinone is a medication used to treat heart failure and other heart conditions. It belongs to a class of drugs known as inotropic agents, which work by increasing the force of contraction of the heart muscle and improving blood flow. Amrinone is often used to treat heart failure, a condition in which the heart is unable to pump enough blood to meet the body's needs, and to improve cardiac function after surgery..

Amrinone is typically given intravenously (through a vein) by a healthcare provider. It is usually given in a hospital or medical office setting, and the dose of amrinone may need to be adjusted based on the individual's response to treatment and any side effects that may occur. It is important to follow the instructions of a healthcare provider when taking this medication..

Amrinone may cause side effects in some people, such as nausea, vomiting, and dizziness. It may also cause serious side effects, such as irregular heart rhythms, low blood pressure, and allergic reactions. It is important to report any side effects to a healthcare provider..

Amrinone should be used with caution in people with certain conditions, such as kidney or liver disease, or a history of allergies to other inotropic agents. It may also interact with other medications, so it is important to inform a healthcare provider about all medications being taken..

Summary

From all the above, this molecule is a medication used to treat heart failure and other heart conditions by increasing the force of contraction of the heart muscle and improving blood flow. It is usually given intravenously by a healthcare provider, and may cause side effects, including serious side effects. It is important to follow the instructions of a healthcare provider and to inform them about all medications being taken when using amrinone..

3D structure

Cartesian coordinates

Geometry of Amrinone in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

Amrinone RNLQIBCLLYYYFJ-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Amrinone

 

Molecule descriptors

 
IUPAC name3-amino-5-pyridin-4-yl-1H-pyridin-2-one
InChI codeInChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)
InChI KeyRNLQIBCLLYYYFJ-UHFFFAOYSA-N
SMILESNc1cc(-c2ccncc2)c[nH]c1=O

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • (3,4'-BIPYRIDIN)-6(1H)-ONE, 5-AMINO-
  • 216151-27-8
  • 3-Amino-5-(4-pyridinyl)-1,2-dihydro-2-pyridone
  • 3-Amino-5-(4-pyridinyl)-2(1H)-pyridinone
  • 3-Amino-5-(4-pyridinyl)-2(1H)pyridinone
  • 3-amino-5-(pyridin-4-yl)-1,2-dihydropyridin-2-one
  • 3-amino-5-(pyridin-4-yl)pyridin-2(1H)-one
  • 3-amino-5-(pyridin-4-yl)pyridin-2-ol
  • 3-amino-5-pyridin-4-yl-1H-pyridin-2-one
  • 3-amino-5-pyridin-4-ylpyridin-2-ol
  • 3-azanyl-5-pyridin-4-yl-1H-pyridin-2-one
  • 5-AMINO-3,4'-BIPYRIDYL-6(1H)-ONE
  • 5-Amino(3,4'-bipyridin)-6(1H)-one
  • 5-Amino(3,4'-bipyridine)-6-(1H)-one
  • 5-Amino-(3,4'-bipyridin)-6(1H)-one
  • 5-Amino-(3,4?-bipyridin)-6(1H)-one
  • 5-Amino-[3,4'-bipyridin]-6(1H)-one
  • 5-Amino[3,4'-bipyridin]-6(1H)-one
  • 5-amino-3,4'-bipyridin-6(1H)-one
  • 60719-84-8
  • 719A848
  • A832852
  • AB00052312-04
  • AB00052312_05
  • AC-12186
  • AC-33137
  • AWD 08-250
  • Amcoral
  • Amrinona
  • Amrinone
  • Amrinone (JAN/INN)
  • Amrinone lactate
  • Amrinone,(S)
  • Amrinonum
  • BA166404
  • BCP12764
  • BDBM34651
  • BPBio1_001034
  • BRN 0744819
  • BSPBio_000940
  • C01CE01
  • C75837
  • CCG-39487
  • CCRIS 3794
  • CID 5281003
  • CS-0013064
  • Cartonic
  • Cordemcura
  • D00231
  • DB01427
  • DSSTox_CID_2603
  • DSSTox_GSID_22603
  • DSSTox_RID_76655
  • DivK1c_000136
  • FT-0601595
  • GTPL7202
  • HMS1570O22
  • HMS2097O22
  • HMS2234F12
  • HMS3264E16
  • HMS3369J10
  • HMS3714O22
  • HMS500G18
  • HY-B1294
  • IDI1_000136
  • Inocor
  • JUT23379TN
  • KBio1_000136
  • KBio2_001830
  • KBio2_004398
  • KBio2_006966
  • KBio3_002052
  • KBioGR_001398
  • KBioSS_001830
  • KS-5178
  • MFCD00083228
  • MLS000069829
  • MLS001074083
  • NCGC00016896-01
  • NCGC00016896-02
  • NCGC00016896-03
  • NCGC00016896-04
  • NCGC00016896-06
  • NCGC00095984-01
  • NCGC00164379-01
  • NCGC00255137-01
  • NINDS_000136
  • NSC 759805
  • NSC-759805
  • NSC759805
  • Opera_ID_1054
  • Pharmakon1600-01503084
  • Prestwick0_000800
  • Prestwick1_000800
  • Prestwick2_000800
  • Prestwick3_000800
  • Prestwick_44
  • Q422724
  • SMR000058850
  • SPECTRUM1503084
  • SR-00000002445
  • SR-00000002445-2
  • STK590307
  • Vesistol
  • W-105234
  • WIN 40680
  • Win-40680
  • Wincoram
  • [3,4'-Bipyridin]-6(1H)-one, 5-amino-
  • cid_3698
  • inamrinone

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC8673078
  • CAS-60719-84-8
  • UNII-JUT23379TN
  • AKOS005512516
  • BRD-K45924332-001-04-4
  • BRD-K45924332-001-07-7
  • DTXSID9022603
  • CHEMBL12856
  • CHEBI:2686
  • Tox21_112110
  • Tox21_301847
  • Tox21_112110_1
  • EINECS 262-390-0
  • SPBio_002139
  • SPBio_002879
  • SCHEMBL44012
  • SCHEMBL13457017
  • Spectrum_001350
  • Spectrum2_001980
  • Spectrum3_000956
  • Spectrum4_001069
  • Spectrum5_000999

Physico-Chemical properties

IUPAC name3-amino-5-pyridin-4-yl-1H-pyridin-2-one
Molecular formulaC10H9N3O
Molecular weight187.198
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity54.70
LogP1.6
Topological polar surface area71.8

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.