N-[4-(1-cyanocyclohexyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

Systemtic Name: N-[4-(1-cyanocyclohexyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Openeye Name: N-[4-(1-cyanocyclohexyl)phenyl]-2-(4-pyridylmethylamino)pyridine-3-carboxamide CAS Name: N-[4-(1-cyanocyclohexyl)phenyl]-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide IUPAC Name: N-[4-(1-cyanocyclohexyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Traditional Name: N-[4-(1-cyanocyclohexyl)phenyl]-2-(4-pyridylmethylamino)nicotinamide Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4

InChI

InChI=1S/C25H25N5O/c26-18-25(12-2-1-3-13-25)20-6-8-21(9-7-20)30-24(31)22-5-4-14-28-23(22)29-17-19-10-15-27-16-11-19/h4-11,14-16H,1-3,12-13,17H2,(H,28,29)(H,30,31)