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

• ChemBase ID: 610735
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)COc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)OCC(=O)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C19H23N3O3/c1-13-18(17-6-7-20-9-14(17)10-21-13)11-22-19(23)12-25-16-5-3-4-15(8-16)24-2/h3-5,8,10,20H,6-7,9,11-12H2,1-2H3,(H,22,23)
• InChIKey: ZEJIJPGNOGHNCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.831197
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.2398212
• LogD (pH = 7.4): -0.707583
• Log P: 0.7890282
• Molar Refractivity: 95.3927 cm^3
• Polarizability: 36.95331 Å^3
• Polar Surface Area: 72.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.82
• LOG S: -1.09
• Polar Surface Area: 72.48 Å^2
• Rotatable Bonds: 6