6-[2-cyanoethyl(pyridin-3-ylmethyl)amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-cyanoethyl(pyridin-3-ylmethyl)amino]pyridine-3-carboxylic acid Openeye Name: 6-[2-cyanoethyl(3-pyridylmethyl)amino]pyridine-3-carboxylic acid CAS Name: 6-[2-cyanoethyl(3-pyridinylmethyl)amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-cyanoethyl(pyridin-3-ylmethyl)amino]pyridine-3-carboxylic acid Traditional Name: 6-[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=NC=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

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