Molecule ID: 135503530

IUPAC Name: (NE)-N-[(4,5-dimethoxy-6-pyridin-2-ylpyridin-2-yl)methylidene]hydroxylamine

Description: The molecule is a pyridine alkaloid that is 2,2'-bipyridine substituted by methoxy groups at positions 3 and 4 and a (E)-(hydroxyimino)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 marine metabolite and a bacterial metabolite. It is an aldoxime, an aromatic ether, a member of bipyridines and a pyridine alkaloid. It derives from a hydride of a 2,2'-bipyridine.

SMILES: COc1cc(/C=N/O)nc(-c2ccccn2)c1OC

SELFIES: [C][O][C][=C][C][Branch1][Ring2][/C][=N][/O][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][#C][O][C]

InChI: InChI=1S/C13H13N3O3/c1-18-11-7-9(8-15-17)16-12(13(11)19-2)10-5-3-4-6-14-10/h3-8,17H,1-2H3/b15-8+

Molecular Properties:
- Polar Surface Area: 76.8 Ų
- LogP: 1.5