6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid

Systemtic Name: 6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid Openeye Name: 6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid CAS Name: 6-[3-(1-imidazolyl)propylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid Traditional Name: 6-(3-imidazol-1-ylpropylamino)nicotinic acid Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(=O)O)NCCCN2C=CN=C2

Isomeric SMILES

C1=CC(=NC=C1C(=O)O)NCCCN2C=CN=C2

InChI

InChI=1S/C12H14N4O2/c17-12(18)10-2-3-11(15-8-10)14-4-1-6-16-7-5-13-9-16/h2-3,5,7-9H,1,4,6H2,(H,14,15)(H,17,18)