6-(propan-2-ylamino)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide

Systemtic Name: 6-(propan-2-ylamino)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide Openeye Name: 6-(isopropylamino)-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]pyridine-3-carboxamide CAS Name: 6-(propan-2-ylamino)-N-[[1-(3-pyridinylmethyl)-4-piperidinyl]methyl]-3-pyridinecarboxamide IUPAC Name: 6-(propan-2-ylamino)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide Traditional Name: 6-(isopropylamino)-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]nicotinamide Formula: C21H29N5O MolecularWeight: 367.48786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C(C=C1)C(=O)NCC2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC(C)NC1=NC=C(C=C1)C(=O)NCC2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C21H29N5O/c1-16(2)25-20-6-5-19(14-23-20)21(27)24-13-17-7-10-26(11-8-17)15-18-4-3-9-22-12-18/h3-6,9,12,14,16-17H,7-8,10-11,13,15H2,1-2H3,(H,23,25)(H,24,27)