1-ethyl-N-{2-[(pyridin-3-yl)amino]ethyl}piperidine-2-carboxamide

• ChemBase ID: 483072
• Molecular Formular: C15H24N4O
• Molecular Mass: 276.37726
• Monoisotopic Mass: 276.19501141
• SMILES: N1(C(C(=O)NCCNc2cnccc2)CCCC1)CC
• Canonical SMILES: CCN1CCCCC1C(=O)NCCNc1cccnc1
• InChI: InChI=1S/C15H24N4O/c1-2-19-11-4-3-7-14(19)15(20)18-10-9-17-13-6-5-8-16-12-13/h5-6,8,12,14,17H,2-4,7,9-11H2,1H3,(H,18,20)
• InChIKey: BBJZMQNHQITNTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-{2-[(pyridin-3-yl)amino]ethyl}piperidine-2-carboxamide
• IUPAC Traditional name: 1-ethyl-N-[2-(pyridin-3-ylamino)ethyl]piperidine-2-carboxamide
• Synonyms: 1-ethyl-N-[2-(pyridin-3-ylamino)ethyl]piperidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.520625
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2441363
• LogD (pH = 7.4): -0.20305115
• Log P: 0.56084317
• Molar Refractivity: 81.5534 cm^3
• Polarizability: 30.990583 Å^3
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.43
• LOG S: -2.16
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 6