6-methoxy-3-methyl-N-[3-(pyridin-2-yl)propyl]-1-benzofuran-2-carboxamide

• ChemBase ID: 566654
• Molecular Formular: C19H20N2O3
• Molecular Mass: 324.3737
• Monoisotopic Mass: 324.14739251
• SMILES: c1(oc2c(c1C)ccc(c2)OC)C(=O)NCCCc1ncccc1
• Canonical SMILES: COc1ccc2c(c1)oc(c2C)C(=O)NCCCc1ccccn1
• InChI: InChI=1S/C19H20N2O3/c1-13-16-9-8-15(23-2)12-17(16)24-18(13)19(22)21-11-5-7-14-6-3-4-10-20-14/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,21,22)
• InChIKey: GQLIWTSXXJFFMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-3-methyl-N-[3-(pyridin-2-yl)propyl]-1-benzofuran-2-carboxamide
• IUPAC Traditional name: 6-methoxy-3-methyl-N-[3-(pyridin-2-yl)propyl]-1-benzofuran-2-carboxamide
• Synonyms: 6-methoxy-3-methyl-N-[3-(2-pyridinyl)propyl]-1-benzofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.115937
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5490046
• LogD (pH = 7.4): 2.595751
• Log P: 2.5963833
• Molar Refractivity: 91.644 cm^3
• Polarizability: 36.04491 Å^3
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.15
• LOG S: -2.96
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 6