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

• ChemBase ID: 468004
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)C(Oc1ccccc1)C
• Canonical SMILES: O=C(C(Oc1ccccc1)C)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C19H23N3O2/c1-13-18(17-8-9-20-10-15(17)11-21-13)12-22-19(23)14(2)24-16-6-4-3-5-7-16/h3-7,11,14,20H,8-10,12H2,1-2H3,(H,22,23)
• InChIKey: UTMUHXKABVFNAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.903744
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5133855
• LogD (pH = 7.4): 0.018852664
• Log P: 1.5154637
• Molar Refractivity: 93.4234 cm^3
• Polarizability: 36.275097 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: 1.37
• LOG S: -1.44
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 5