methyl 5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)pyridine-3-carboxylate

Systemtic Name: methyl 5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)pyridine-3-carboxylate Openeye Name: methyl 5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)pyridine-3-carboxylate CAS Name: 5-[[3-(4-cyanophenyl)-1-oxopropyl]amino]-6-(methylamino)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)pyridine-3-carboxylate Traditional Name: 5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)nicotinic acid methyl ester Formula: C18H18N4O3 MolecularWeight: 338.36052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=N1)C(=O)OC)NC(=O)CCC2=CC=C(C=C2)C#N

Isomeric SMILES

CNC1=C(C=C(C=N1)C(=O)OC)NC(=O)CCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H18N4O3/c1-20-17-15(9-14(11-21-17)18(24)25-2)22-16(23)8-7-12-3-5-13(10-19)6-4-12/h3-6,9,11H,7-8H2,1-2H3,(H,20,21)(H,22,23)