1-(5-aminopyridin-2-yl)piperidine-3-carboxamide

• ChemBase ID: 257191
• Molecular Formular: C11H16N4O
• Molecular Mass: 220.27094
• Monoisotopic Mass: 220.13241115
• SMILES: N1(c2ncc(N)cc2)CC(C(=O)N)CCC1
• Canonical SMILES: NC(=O)C1CCCN(C1)c1ccc(cn1)N
• InChI: InChI=1S/C11H16N4O/c12-9-3-4-10(14-6-9)15-5-1-2-8(7-15)11(13)16/h3-4,6,8H,1-2,5,7,12H2,(H2,13,16)
• InChIKey: SDOLWVKFIDWTRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-aminopyridin-2-yl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-(5-aminopyridin-2-yl)piperidine-3-carboxamide
• Synonyms: 1-(5-aminopyridin-2-yl)piperidine-3-carboxamide

Database IDs

• MDL Number: MFCD09736214
• PubChem SID: 164313101
• PubChem CID: 16789448

CALCULATED PROPERTIES

• Acid pKa: 16.162443
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0949498
• LogD (pH = 7.4): -0.058209095
• Log P: 0.051224314
• Molar Refractivity: 63.3937 cm^3
• Polarizability: 23.249382 Å^3
• Polar Surface Area: 85.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Hydrophobicity(logP): 0.503

Product Information

• Purity: 95%