N-propyl-N-(pyridin-3-ylmethyl)-2-(pyridin-3-yloxy)acetamide

• ChemBase ID: 764500
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: C(=O)(N(Cc1cnccc1)CCC)COc1cnccc1
• Canonical SMILES: CCCN(C(=O)COc1cccnc1)Cc1cccnc1
• InChI: InChI=1S/C16H19N3O2/c1-2-9-19(12-14-5-3-7-17-10-14)16(20)13-21-15-6-4-8-18-11-15/h3-8,10-11H,2,9,12-13H2,1H3
• InChIKey: LLOUDZAPMXOOLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propyl-N-(pyridin-3-ylmethyl)-2-(pyridin-3-yloxy)acetamide
• IUPAC Traditional name: N-propyl-N-(pyridin-3-ylmethyl)-2-(pyridin-3-yloxy)acetamide
• Synonyms: N-propyl-N-(pyridin-3-ylmethyl)-2-(pyridin-3-yloxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.540136
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9644928
• LogD (pH = 7.4): 1.1005081
• Log P: 1.1024259
• Molar Refractivity: 79.7928 cm^3
• Polarizability: 31.056288 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.52
• LOG S: -1.28
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 7