Molecule ID: 11717831

IUPAC Name: 2-[6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylacetamide

Description: The molecule is a member of the class of cyanopyridines that is 6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-sulfanylpyridine in which the hydroxy and sulfanyl hydrogens are replaced by cyclopropylmethyl and carboxamidomethyl groups respectively. It has a role as an adenosine A2B receptor agonist, a cardioprotective agent and an anti-inflammatory agent. It is an aminopyridine, a cyanopyridine, an aryl sulfide, a monocarboxylic acid amide, an aromatic ether and a member of cyclopropanes.

SMILES: N#Cc1c(N)nc(SCC(=N)O)c(C#N)c1-c1ccc(OCC2CC2)cc1

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

InChI: InChI=1S/C19H17N5O2S/c20-7-14-17(12-3-5-13(6-4-12)26-9-11-1-2-11)15(8-21)19(24-18(14)23)27-10-16(22)25/h3-6,11H,1-2,9-10H2,(H2,22,25)(H2,23,24)

Molecular Properties:
- Polar Surface Area: 164.0 Ų
- LogP: 2.6