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

Systemtic Name: 2-(ethylamino)-N-(3-piperidin-1-ylpropyl)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide Openeye Name: 2-(ethylamino)-N-[3-(1-piperidyl)propyl]-6-[4-(3-pyridylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide CAS Name: 2-(ethylamino)-6-[4-[[oxo-(3-pyridinylmethylamino)methyl]amino]phenyl]-N-[3-(1-piperidinyl)propyl]-3-pyridinecarboxamide IUPAC Name: 2-(ethylamino)-N-(3-piperidin-1-ylpropyl)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide Traditional Name: 2-(ethylamino)-N-(3-piperidinopropyl)-6-[4-(3-pyridylmethylcarbamoylamino)phenyl]nicotinamide Formula: C29H37N7O2 MolecularWeight: 515.64978

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=N1)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3)C(=O)NCCCN4CCCCC4

Isomeric SMILES

CCNC1=C(C=CC(=N1)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3)C(=O)NCCCN4CCCCC4

InChI

InChI=1S/C29H37N7O2/c1-2-31-27-25(28(37)32-16-7-19-36-17-4-3-5-18-36)13-14-26(35-27)23-9-11-24(12-10-23)34-29(38)33-21-22-8-6-15-30-20-22/h6,8-15,20H,2-5,7,16-19,21H2,1H3,(H,31,35)(H,32,37)(H2,33,34,38)