N-{2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide

• ChemBase ID: 526433
• Molecular Formular: C15H19N5O2
• Molecular Mass: 301.34366
• Monoisotopic Mass: 301.15387487
• SMILES: c1(nc(on1)CCNC(=O)C)c1c2c(cnc1C)CNCC2
• Canonical SMILES: CC(=O)NCCc1onc(n1)c1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C15H19N5O2/c1-9-14(12-3-5-16-7-11(12)8-18-9)15-19-13(22-20-15)4-6-17-10(2)21/h8,16H,3-7H2,1-2H3,(H,17,21)
• InChIKey: GUQSIDQVYDVHLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide
• IUPAC Traditional name: N-{2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide
• Synonyms: N-{2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.175163
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.0678399
• LogD (pH = 7.4): -1.5075123
• Log P: 0.03848625
• Molar Refractivity: 93.021 cm^3
• Polarizability: 31.418556 Å^3
• Polar Surface Area: 92.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -1.51
• LOG S: -1.42
• Polar Surface Area: 92.94 Å^2
• Rotatable Bonds: 4