Molecule ID: 4197

IUPAC Name: 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile

Description: The molecule is a member of the class of bipyridines that is 2-pyridone which is substituted at positions 3, 5, and 6 by cyano, pyrid-4-yl, and methyl groups, respectively. It is used (particularly intravenously, as the lactate) for the short-term management of severe heart failure. It has a role as an EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor, a platelet aggregation inhibitor, a vasodilator agent and a cardiotonic drug. It is a pyridone, a nitrile and a member of bipyridines.

SMILES: Cc1nc(O)c(C#N)cc1-c1ccncc1

SELFIES: [C][C][=N][C][Branch1][C][O][=C][Branch1][Ring1][C][#N][C][=C][Ring1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)

Molecular Properties:
- Polar Surface Area: 65.8 Ų
- LogP: 0.0