N-[2-(pyridin-3-ylformamido)ethyl]piperidine-3-carboxamide

• ChemBase ID: 379757
• Molecular Formular: C14H20N4O2
• Molecular Mass: 276.3342
• Monoisotopic Mass: 276.1586259
• SMILES: C(=O)(c1cnccc1)NCCNC(=O)C1CNCCC1
• Canonical SMILES: O=C(C1CCCNC1)NCCNC(=O)c1cccnc1
• InChI: InChI=1S/C14H20N4O2/c19-13(11-3-1-5-15-9-11)17-7-8-18-14(20)12-4-2-6-16-10-12/h1,3,5,9,12,16H,2,4,6-8,10H2,(H,17,19)(H,18,20)
• InChIKey: CEXBYEHZFGATML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(pyridin-3-ylformamido)ethyl]piperidine-3-carboxamide
• IUPAC Traditional name: N-[2-(pyridin-3-ylformamido)ethyl]piperidine-3-carboxamide
• Synonyms: N-{2-[(piperidin-3-ylcarbonyl)amino]ethyl}nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.813451
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.0799017
• LogD (pH = 7.4): -3.0567107
• Log P: -0.8887621
• Molar Refractivity: 75.5474 cm^3
• Polarizability: 29.021181 Å^3
• Polar Surface Area: 83.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.71
• LOG S: -1.92
• Polar Surface Area: 83.12 Å^2
• Rotatable Bonds: 5