3-[(5-ethylpyridin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 746763
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: N1(C(=O)NC2(C1=O)CCNCC2)Cc1ncc(cc1)CC
• Canonical SMILES: CCc1ccc(nc1)CN1C(=O)NC2(C1=O)CCNCC2
• InChI: InChI=1S/C15H20N4O2/c1-2-11-3-4-12(17-9-11)10-19-13(20)15(18-14(19)21)5-7-16-8-6-15/h3-4,9,16H,2,5-8,10H2,1H3,(H,18,21)
• InChIKey: NPEDUDDWNIJUFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(5-ethylpyridin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-[(5-ethylpyridin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-[(5-ethyl-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.403317
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.0749197
• LogD (pH = 7.4): -2.330906
• Log P: -0.03092294
• Molar Refractivity: 77.7147 cm^3
• Polarizability: 30.269106 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.69
• LOG S: -0.59
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 3