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

• ChemBase ID: 381348
• Molecular Formular: C14H18N4O3
• Molecular Mass: 290.31772
• Monoisotopic Mass: 290.13789046
• SMILES: N1(C(=O)NC2(C1=O)CCNCC2)Cc1nccc(c1)OC
• Canonical SMILES: COc1ccnc(c1)CN1C(=O)NC2(C1=O)CCNCC2
• InChI: InChI=1S/C14H18N4O3/c1-21-11-2-5-16-10(8-11)9-18-12(19)14(17-13(18)20)3-6-15-7-4-14/h2,5,8,15H,3-4,6-7,9H2,1H3,(H,17,20)
• InChIKey: RIVABPHBNJWVIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.110813
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.4440494
• LogD (pH = 7.4): -3.4512925
• Log P: -1.294209
• Molar Refractivity: 74.5357 cm^3
• Polarizability: 29.21539 Å^3
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.03
• LOG S: -2.6
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 3