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

• ChemBase ID: 643393
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)COc1c(C)cccc1
• Canonical SMILES: O=C(COc1ccccc1C)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C19H23N3O2/c1-13-5-3-4-6-18(13)24-12-19(23)22-11-17-14(2)21-10-15-9-20-8-7-16(15)17/h3-6,10,20H,7-9,11-12H2,1-2H3,(H,22,23)
• InChIKey: USELXCIMPLQJFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.070378
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5687286
• LogD (pH = 7.4): -0.036490515
• Log P: 1.4601209
• Molar Refractivity: 93.9707 cm^3
• Polarizability: 36.198624 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: 1.49
• LOG S: -1.54
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 5