N-[(2-ethoxypyridin-3-yl)methyl]oxane-2-carboxamide

• ChemBase ID: 454637
• Molecular Formular: C14H20N2O3
• Molecular Mass: 264.3202
• Monoisotopic Mass: 264.14739251
• SMILES: c1(c(nccc1)OCC)CNC(=O)C1OCCCC1
• Canonical SMILES: CCOc1ncccc1CNC(=O)C1CCCCO1
• InChI: InChI=1S/C14H20N2O3/c1-2-18-14-11(6-5-8-15-14)10-16-13(17)12-7-3-4-9-19-12/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,16,17)
• InChIKey: WZNPAQNQVZUNDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethoxypyridin-3-yl)methyl]oxane-2-carboxamide
• IUPAC Traditional name: N-[(2-ethoxypyridin-3-yl)methyl]oxane-2-carboxamide
• Synonyms: N-[(2-ethoxypyridin-3-yl)methyl]tetrahydro-2H-pyran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.622875
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3813723
• LogD (pH = 7.4): 1.3819757
• Log P: 1.3819835
• Molar Refractivity: 71.6843 cm^3
• Polarizability: 27.86907 Å^3
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.67
• LOG S: -1.7
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 5