N-methyl-2-(2-piperidin-1-ylethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide

Systemtic Name: N-methyl-2-(2-piperidin-1-ylethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide Openeye Name: N-methyl-2-[2-(1-piperidyl)ethylamino]-6-[4-(3-pyridylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide CAS Name: N-methyl-6-[4-[[oxo-(3-pyridinylmethylamino)methyl]amino]phenyl]-2-[2-(1-piperidinyl)ethylamino]-3-pyridinecarboxamide IUPAC Name: N-methyl-2-(2-piperidin-1-ylethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide Traditional Name: N-methyl-2-(2-piperidinoethylamino)-6-[4-(3-pyridylmethylcarbamoylamino)phenyl]nicotinamide Formula: C27H33N7O2 MolecularWeight: 487.59662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(N=C(C=C1)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3)NCCN4CCCCC4

Isomeric SMILES

CNC(=O)C1=C(N=C(C=C1)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3)NCCN4CCCCC4

InChI

InChI=1S/C27H33N7O2/c1-28-26(35)23-11-12-24(33-25(23)30-14-17-34-15-3-2-4-16-34)21-7-9-22(10-8-21)32-27(36)31-19-20-6-5-13-29-18-20/h5-13,18H,2-4,14-17,19H2,1H3,(H,28,35)(H,30,33)(H2,31,32,36)