1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]pyridin-2-yl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]pyridin-2-yl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[6-[[2-(4-pyridyl)thiazol-4-yl]carbamoylamino]-2-pyridyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[[6-[[oxo-[(2-pyridin-4-yl-4-thiazolyl)amino]methyl]amino]-2-pyridinyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]pyridin-2-yl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[[6-[[2-(4-pyridyl)thiazol-4-yl]carbamoylamino]-2-pyridyl]methyl]nipecotic acid Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=NC(=CC=C2)NC(=O)NC3=CSC(=N3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=NC(=CC=C2)NC(=O)NC3=CSC(=N3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C21H22N6O3S/c28-20(29)15-3-2-10-27(11-15)12-16-4-1-5-17(23-16)25-21(30)26-18-13-31-19(24-18)14-6-8-22-9-7-14/h1,4-9,13,15H,2-3,10-12H2,(H,28,29)(H2,23,25,26,30)