[1-[(5-methylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate

Systemtic Name: [1-[(5-methylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate Openeye Name: 1-[(5-methyl-2-pyridyl)carbamoyl]propyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-[(5-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-methylpyridin-2-yl)amino]-1-oxobutan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid 1-[(5-methyl-2-pyridyl)carbamoyl]propyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC=C(C=C1)C)OC(=O)C2=CC=NC=C2

Isomeric SMILES

CCC(C(=O)NC1=NC=C(C=C1)C)OC(=O)C2=CC=NC=C2

InChI

InChI=1S/C16H17N3O3/c1-3-13(22-16(21)12-6-8-17-9-7-12)15(20)19-14-5-4-11(2)10-18-14/h4-10,13H,3H2,1-2H3,(H,18,19,20)