N-(2-methoxyethyl)-5-(5-methoxypyridin-3-yl)furan-2-carboxamide

• ChemBase ID: 319107
• Molecular Formular: C14H16N2O4
• Molecular Mass: 276.28784
• Monoisotopic Mass: 276.111007
• SMILES: o1c(ccc1C(=O)NCCOC)c1cc(cnc1)OC
• Canonical SMILES: COCCNC(=O)c1ccc(o1)c1cncc(c1)OC
• InChI: InChI=1S/C14H16N2O4/c1-18-6-5-16-14(17)13-4-3-12(20-13)10-7-11(19-2)9-15-8-10/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)
• InChIKey: PTMDRBOFOLBCCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-5-(5-methoxypyridin-3-yl)furan-2-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-5-(5-methoxypyridin-3-yl)furan-2-carboxamide
• Synonyms: N-(2-methoxyethyl)-5-(5-methoxypyridin-3-yl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.426754
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.24475937
• LogD (pH = 7.4): 0.25261477
• Log P: 0.2527161
• Molar Refractivity: 72.7875 cm^3
• Polarizability: 28.839767 Å^3
• Polar Surface Area: 73.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.94
• LOG S: -2.02
• Polar Surface Area: 73.59 Å^2
• Rotatable Bonds: 6