N-[3-(furan-2-amido)-4-methoxyphenyl]-4-methylpyridine-3-carboxamide

• ChemBase ID: 739812
• Molecular Formular: C19H17N3O4
• Molecular Mass: 351.35598
• Monoisotopic Mass: 351.12190604
• SMILES: C(=O)(c1c(ccnc1)C)Nc1cc(NC(=O)c2occc2)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1NC(=O)c1ccco1)NC(=O)c1cnccc1C
• InChI: InChI=1S/C19H17N3O4/c1-12-7-8-20-11-14(12)18(23)21-13-5-6-16(25-2)15(10-13)22-19(24)17-4-3-9-26-17/h3-11H,1-2H3,(H,21,23)(H,22,24)
• InChIKey: QKISYPAMFDSMDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-amido)-4-methoxyphenyl]-4-methylpyridine-3-carboxamide
• IUPAC Traditional name: N-[3-(furan-2-amido)-4-methoxyphenyl]-4-methylpyridine-3-carboxamide
• Synonyms: N-[3-(2-furoylamino)-4-methoxyphenyl]-4-methylnicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.885728
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.3162038
• LogD (pH = 7.4): 2.3546839
• Log P: 2.3553398
• Molar Refractivity: 98.8634 cm^3
• Polarizability: 35.831974 Å^3
• Polar Surface Area: 93.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.17
• LOG S: -2.76
• Polar Surface Area: 93.46 Å^2
• Rotatable Bonds: 5