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

• ChemBase ID: 326842
• Molecular Formular: C21H26N4O2
• Molecular Mass: 366.45674
• Monoisotopic Mass: 366.20557609
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)c1cc(N2CCOCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)N1CCOCC1)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C21H26N4O2/c1-15-20(19-5-6-22-12-17(19)13-23-15)14-24-21(26)16-3-2-4-18(11-16)25-7-9-27-10-8-25/h2-4,11,13,22H,5-10,12,14H2,1H3,(H,24,26)
• InChIKey: SAXBOFAKOVTGRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.021975
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.8553317
• LogD (pH = 7.4): -0.32308692
• Log P: 1.1735138
• Molar Refractivity: 107.141 cm^3
• Polarizability: 40.16591 Å^3
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.58
• LOG S: -0.53
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 4