N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-pyridylmethylamino)pyridine-3-carboxamide CAS Name: N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-pyridylmethylamino)nicotinamide Formula: C30H31N5O8 MolecularWeight: 589.59584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C24H23N5O.C6H8O7/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)