4-ethoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide

• ChemBase ID: 661557
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)C(=O)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C19H23N3O2/c1-3-24-16-6-4-14(5-7-16)19(23)22-12-18-13(2)21-11-15-10-20-9-8-17(15)18/h4-7,11,20H,3,8-10,12H2,1-2H3,(H,22,23)
• InChIKey: ZJPLGENCTKZPIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.992036
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5457362
• LogD (pH = 7.4): -0.0134936115
• Log P: 1.4831071
• Molar Refractivity: 94.8497 cm^3
• Polarizability: 36.05438 Å^3
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.8
• LOG S: -1.81
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 5