N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-(dimethylamino)pyridine-4-carboxamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-(dimethylamino)pyridine-4-carboxamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-2-(dimethylamino)pyridine-4-carboxamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-4-pyridinecarboxamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-2-(dimethylamino)pyridine-4-carboxamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-2-(dimethylamino)isonicotinamide Formula: C16H23N5O2 MolecularWeight: 317.38612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC(=NC=C1)N(C)C

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC(=NC=C1)N(C)C

InChI

InChI=1S/C16H23N5O2/c1-11(2)9-13(16(23)19-8-6-17)20-15(22)12-5-7-18-14(10-12)21(3)4/h5,7,10-11,13H,8-9H2,1-4H3,(H,19,23)(H,20,22)