6-chloro-N-[4-(5-methylfuran-3-amido)phenyl]pyridine-2-carboxamide

• ChemBase ID: 684956
• Molecular Formular: C18H14ClN3O3
• Molecular Mass: 355.77506
• Monoisotopic Mass: 355.072369
• SMILES: c1(C(=O)Nc2ccc(NC(=O)c3nc(Cl)ccc3)cc2)cc(oc1)C
• Canonical SMILES: Cc1occ(c1)C(=O)Nc1ccc(cc1)NC(=O)c1cccc(n1)Cl
• InChI: InChI=1S/C18H14ClN3O3/c1-11-9-12(10-25-11)17(23)20-13-5-7-14(8-6-13)21-18(24)15-3-2-4-16(19)22-15/h2-10H,1H3,(H,20,23)(H,21,24)
• InChIKey: ALROPFRESTZWMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-[4-(5-methylfuran-3-amido)phenyl]pyridine-2-carboxamide
• IUPAC Traditional name: 6-chloro-N-[4-(5-methylfuran-3-amido)phenyl]pyridine-2-carboxamide
• Synonyms: 6-chloro-N-{4-[(5-methyl-3-furoyl)amino]phenyl}pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.955785
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.4892218
• LogD (pH = 7.4): 3.4892106
• Log P: 3.489222
• Molar Refractivity: 98.1253 cm^3
• Polarizability: 35.266346 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: 3.22
• LOG S: -4.55
• Polar Surface Area: 84.23 Å^2
• Rotatable Bonds: 4