2-[(3S)-3-cyanopiperidin-1-yl]-6-methyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[(3S)-3-cyanopiperidin-1-yl]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-[(3S)-3-cyano-1-piperidyl]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-[(3S)-3-cyano-1-piperidinyl]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-[(3S)-3-cyanopiperidin-1-yl]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-[(3S)-3-cyanopiperidino]-6-methyl-nicotinic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)O)N2CCCC(C2)C#N

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)O)N2CCC[C@@H](C2)C#N

InChI

InChI=1S/C13H15N3O2/c1-9-4-5-11(13(17)18)12(15-9)16-6-2-3-10(7-14)8-16/h4-5,10H,2-3,6,8H2,1H3,(H,17,18)/t10-/m1/s1