N-(2-aminophenyl)-6-[(heptan-2-ylcarbamoylamino)methyl]pyridine-3-carboxamide

Systemtic Name: N-(2-aminophenyl)-6-[(heptan-2-ylcarbamoylamino)methyl]pyridine-3-carboxamide Openeye Name: N-(2-aminophenyl)-6-[(1-methylhexylcarbamoylamino)methyl]pyridine-3-carboxamide CAS Name: N-(2-aminophenyl)-6-[[[(heptan-2-ylamino)-oxomethyl]amino]methyl]-3-pyridinecarboxamide IUPAC Name: N-(2-aminophenyl)-6-[(heptan-2-ylcarbamoylamino)methyl]pyridine-3-carboxamide Traditional Name: N-(2-aminophenyl)-6-[(1-methylhexylcarbamoylamino)methyl]nicotinamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)NCC1=NC=C(C=C1)C(=O)NC2=CC=CC=C2N

Isomeric SMILES

CCCCCC(C)NC(=O)NCC1=NC=C(C=C1)C(=O)NC2=CC=CC=C2N

InChI

InChI=1S/C21H29N5O2/c1-3-4-5-8-15(2)25-21(28)24-14-17-12-11-16(13-23-17)20(27)26-19-10-7-6-9-18(19)22/h6-7,9-13,15H,3-5,8,14,22H2,1-2H3,(H,26,27)(H2,24,25,28)