N-cyclopentyl-6-(piperidin-3-yl)pyridine-3-carboxamide hydrochloride

• ChemBase ID: 62396
• Molecular Formular: C16H24ClN3O
• Molecular Mass: 309.83426
• Monoisotopic Mass: 309.16079008
• SMILES: C(=O)(c1cnc(C2CNCCC2)cc1)NC1CCCC1.Cl
• Canonical SMILES: O=C(c1ccc(nc1)C1CCCNC1)NC1CCCC1.Cl
• InChI: InChI=1S/C16H23N3O.ClH/c20-16(19-14-5-1-2-6-14)13-7-8-15(18-11-13)12-4-3-9-17-10-12;/h7-8,11-12,14,17H,1-6,9-10H2,(H,19,20);1H
• InChIKey: NPOYNXCTOAEKTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-6-(piperidin-3-yl)pyridine-3-carboxamide hydrochloride
• IUPAC Traditional name: N-cyclopentyl-6-(piperidin-3-yl)pyridine-3-carboxamide hydrochloride
• Synonyms: 1',2',3',4',5',6'-Hexahydro-[2,3']bipyridinyl-5-carboxylic acid cyclopentylamide hydrochloride

Database IDs

• MDL Number: MFCD21605964
• PubChem SID: 162028135
• PubChem CID: 71298712

CALCULATED PROPERTIES

• Acid pKa: 14.161618
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.620104
• LogD (pH = 7.4): -0.667658
• Log P: 1.5754471
• Molar Refractivity: 79.1585 cm^3
• Polarizability: 30.667599 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false