Molecule ID: 1530

IUPAC Name: 1-methyl-6-phenylimidazo[4,5-b]pyridin-2-amine

Description: The molecule is an imidazopyridine that is 1H--imidazo[4,5-b]pyridine which is substituted at positions 1, 2, and 6 by methyl, amino, and phenyl groups, respectively. It is the most abundant of the mutagenic heterocyclic amines found in cooked meat and fish. It has a role as a carcinogenic agent and a mutagen. It is an imidazopyridine and a primary amino compound.

SMILES: Cn1c(=N)[nH]c2ncc(-c3ccccc3)cc21

SELFIES: [C][N][C][=Branch1][C][=N][NH1][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][Ring1][S]

InChI: InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)

Molecular Properties:
- Polar Surface Area: 56.7 Ų
- LogP: 2.2