1-methyl-5-pyridin-3-yl-pyrrolidin-2-one; pyridine-2,6-dicarboxylic acid

Systemtic Name: 1-methyl-5-pyridin-3-yl-pyrrolidin-2-one; pyridine-2,6-dicarboxylic acid Openeye Name: 1-methyl-5-(3-pyridyl)pyrrolidin-2-one; pyridine-2,6-dicarboxylic acid CAS Name: 1-methyl-5-(3-pyridinyl)-2-pyrrolidinone; pyridine-2,6-dicarboxylic acid IUPAC Name: 1-methyl-5-pyridin-3-ylpyrrolidin-2-one; pyridine-2,6-dicarboxylic acid Traditional Name: cotinine; dipicolinic acid Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CCC1=O)C2=CN=CC=C2.C1=CC(=NC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CN1C(CCC1=O)C2=CN=CC=C2.C1=CC(=NC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C10H12N2O.C7H5NO4/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8;9-6(10)4-2-1-3-5(8-4)7(11)12/h2-3,6-7,9H,4-5H2,1H3;1-3H,(H,9,10)(H,11,12)