N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

• ChemBase ID: 626520
• Molecular Formular: C19H21N3O2
• Molecular Mass: 323.38894
• Monoisotopic Mass: 323.16337693
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)C1Oc2c(C1)cccc2
• Canonical SMILES: O=C(C1Cc2c(O1)cccc2)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C19H21N3O2/c1-12-16(15-6-7-20-9-14(15)10-21-12)11-22-19(23)18-8-13-4-2-3-5-17(13)24-18/h2-5,10,18,20H,6-9,11H2,1H3,(H,22,23)
• InChIKey: IXORQGUOABLPHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• IUPAC Traditional name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• Synonyms: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.754273
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8303049
• LogD (pH = 7.4): -0.29806662
• Log P: 1.1985443
• Molar Refractivity: 91.9844 cm^3
• Polarizability: 35.54272 Å^3
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.33
• LOG S: -1.85
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 3