Molecule ID: 5720233

IUPAC Name: (E)-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one

Description: The molecule is a member of the class of pyridines that is pyridine substituted by a 3-oxo-3-(pyridin-4-yl)prop-1-en-1-yl group at position 3. An inhibitor of PFKFB3 kinase, an enzyme with a key role in glycolysis. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an autophagy inducer, an apoptosis inducer and an EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor. It is a member of pyridines and an enone.

SMILES: O=C(/C=C/c1cccnc1)c1ccncc1

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

InChI: InChI=1S/C13H10N2O/c16-13(12-5-8-14-9-6-12)4-3-11-2-1-7-15-10-11/h1-10H/b4-3+

Molecular Properties:
- Polar Surface Area: 42.8 Ų
- LogP: 1.6