N-(pyridin-2-yl)piperidine-3-carboxamide

• ChemBase ID: 260137
• Molecular Formular: C11H15N3O
• Molecular Mass: 205.2563
• Monoisotopic Mass: 205.12151212
• SMILES: C(=O)(Nc1ncccc1)C1CNCCC1
• Canonical SMILES: O=C(C1CCCNC1)Nc1ccccn1
• InChI: InChI=1S/C11H15N3O/c15-11(9-4-3-6-12-8-9)14-10-5-1-2-7-13-10/h1-2,5,7,9,12H,3-4,6,8H2,(H,13,14,15)
• InChIKey: NWJQAESAOMBALN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyridin-2-yl)piperidine-3-carboxamide
• IUPAC Traditional name: N-(pyridin-2-yl)piperidine-3-carboxamide
• Synonyms: N-(pyridin-2-yl)piperidine-3-carboxamide

Database IDs

• CAS Number: 883106-72-7
• MDL Number: MFCD08272020
• PubChem SID: 164316047
• PubChem CID: 18072846

CALCULATED PROPERTIES

• Acid pKa: 12.023498
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3529658
• LogD (pH = 7.4): -1.3202739
• Log P: 0.8472266
• Molar Refractivity: 59.3552 cm^3
• Polarizability: 22.475304 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94 - 96°C
• Hydrophobicity(logP): 0.858

Product Information

• Purity: 95%