Molecule ID: 3698

IUPAC Name: 3-amino-5-pyridin-4-yl-1H-pyridin-2-one

Description: The molecule is a 3,4'-bipyridine substituted at positions 5 and 6 by an amino group and a keto function respectively. A pyridine phosphodiesterase 3 inhibitor, it is a drug that may improve the prognosis in patients with congestive heart failure. It has a role as an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor.

SMILES: Nc1cc(-c2ccncc2)cnc1O

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

InChI: InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)

Molecular Properties:
- Polar Surface Area: 68.0 Ų
- LogP: -0.2