2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]pyridine-3-carboxylic acid Openeye Name: 2-[2-cyanoethyl(3-pyridylmethyl)amino]pyridine-3-carboxylic acid CAS Name: 2-[2-cyanoethyl(3-pyridinylmethyl)amino]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]pyridine-3-carboxylic acid Traditional Name: 2-[2-cyanoethyl(3-pyridylmethyl)amino]nicotinic acid Formula: C15H14N4O2 MolecularWeight: 282.29726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H14N4O2/c16-6-3-9-19(11-12-4-1-7-17-10-12)14-13(15(20)21)5-2-8-18-14/h1-2,4-5,7-8,10H,3,9,11H2,(H,20,21)