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

• ChemBase ID: 626719
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)CCc1ccc(cc1)O
• Canonical SMILES: O=C(NCc1c(C)ncc2c1CCNC2)CCc1ccc(cc1)O
• InChI: InChI=1S/C19H23N3O2/c1-13-18(17-8-9-20-10-15(17)11-21-13)12-22-19(24)7-4-14-2-5-16(23)6-3-14/h2-3,5-6,11,20,23H,4,7-10,12H2,1H3,(H,22,24)
• InChIKey: KBWCYXMYEHPOGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.599601
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.6208718
• LogD (pH = 7.4): -0.08804713
• Log P: 1.0453675
• Molar Refractivity: 94.2712 cm^3
• Polarizability: 36.200916 Å^3
• Polar Surface Area: 74.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.28
• LOG S: -1.24
• Polar Surface Area: 74.25 Å^2
• Rotatable Bonds: 5