Molecule ID: 53484027

IUPAC Name: N-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide

Description: The molecule is a pyridine alkaloid that is 2,2'-bipyridine substituted by a hydroxy group at position 4 and an (acetylamino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity. It has a role as an antineoplastic agent, a bacterial metabolite and a marine metabolite. It is a member of bipyridines, a monohydroxypyridine, a pyridine alkaloid and a member of acetamides. It derives from a hydride of a 2,2'-bipyridine.

SMILES: CC(O)=NCc1cc(O)cc(-c2ccccn2)n1

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

InChI: InChI=1S/C13H13N3O2/c1-9(17)15-8-10-6-11(18)7-13(16-10)12-4-2-3-5-14-12/h2-7H,8H2,1H3,(H,15,17)(H,16,18)

Molecular Properties:
- Polar Surface Area: 71.1 Ų
- LogP: -0.1