1-(5-cyanopyridin-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-cyanopyridin-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide Openeye Name: 1-(5-cyano-2-pyridyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide CAS Name: 1-(5-cyano-2-pyridinyl)-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-cyanopyridin-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide Traditional Name: 1-(5-cyano-2-pyridyl)-N-[4-(isobutyrylamino)phenyl]isonipecotamide Formula: C22H25N5O2 MolecularWeight: 391.4662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C22H25N5O2/c1-15(2)21(28)25-18-4-6-19(7-5-18)26-22(29)17-9-11-27(12-10-17)20-8-3-16(13-23)14-24-20/h3-8,14-15,17H,9-12H2,1-2H3,(H,25,28)(H,26,29)