5-(3-acetamidophenyl)-N-(pyridin-3-yl)furan-2-carboxamide

• ChemBase ID: 727386
• Molecular Formular: C18H15N3O3
• Molecular Mass: 321.33
• Monoisotopic Mass: 321.11134136
• SMILES: c1(oc(cc1)c1cc(NC(=O)C)ccc1)C(=O)Nc1cnccc1
• Canonical SMILES: CC(=O)Nc1cccc(c1)c1ccc(o1)C(=O)Nc1cccnc1
• InChI: InChI=1S/C18H15N3O3/c1-12(22)20-14-5-2-4-13(10-14)16-7-8-17(24-16)18(23)21-15-6-3-9-19-11-15/h2-11H,1H3,(H,20,22)(H,21,23)
• InChIKey: AWPFBMBQTJJXPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-acetamidophenyl)-N-(pyridin-3-yl)furan-2-carboxamide
• IUPAC Traditional name: 5-(3-acetamidophenyl)-N-(pyridin-3-yl)furan-2-carboxamide
• Synonyms: 5-[3-(acetylamino)phenyl]-N-pyridin-3-yl-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.315439
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6855409
• LogD (pH = 7.4): 1.7122215
• Log P: 1.7126417
• Molar Refractivity: 91.7022 cm^3
• Polarizability: 34.74088 Å^3
• Polar Surface Area: 84.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.33
• LOG S: -3.54
• Polar Surface Area: 84.23 Å^2
• Rotatable Bonds: 4