Molecule ID: 9566174

IUPAC Name: N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamide

Description: The molecule is a carbohydrazide that is nicotinohydrazide in which the terminal nitrogen has undergone formal condensation with the aldehyde group of 4-oxo-4H-chromene-3-carbaldehyde. It is an inhibitor of STAT5 (Signal Transducer and Activator of Transcription 5) protein. It has a role as a signal transducer and activator of transcription 5 protein inhibitor. It is a carbohydrazide, a member of chromones and a member of pyridines.

SMILES: O=c1c(/C=N/N=C(O)c2cccnc2)coc2ccccc12

SELFIES: [O][=C][C][Branch1][S][/C][=N][/N][=C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][O][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1]

InChI: InChI=1S/C16H11N3O3/c20-15-12(10-22-14-6-2-1-5-13(14)15)9-18-19-16(21)11-4-3-7-17-8-11/h1-10H,(H,19,21)/b18-9+

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 1.6