2-oxo-2-{9-oxo-8-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-2-yl}acetamide

• ChemBase ID: 631537
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: N1(C(=O)C(=O)N)CC2(CN(C(=O)CC2)CCc2ncccc2)CCC1
• Canonical SMILES: O=C1CCC2(CN1CCc1ccccn1)CCCN(C2)C(=O)C(=O)N
• InChI: InChI=1S/C18H24N4O3/c19-16(24)17(25)22-10-3-7-18(13-22)8-5-15(23)21(12-18)11-6-14-4-1-2-9-20-14/h1-2,4,9H,3,5-8,10-13H2,(H2,19,24)
• InChIKey: QCNRTLBNYSSFFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-2-{9-oxo-8-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-2-yl}acetamide
• IUPAC Traditional name: 2-oxo-2-{9-oxo-8-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-2-yl}acetamide
• Synonyms: 2-oxo-2-{9-oxo-8-[2-(2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undec-2-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.95865
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6085215
• LogD (pH = 7.4): -0.56513286
• Log P: -0.56454855
• Molar Refractivity: 91.5174 cm^3
• Polarizability: 35.576553 Å^3
• Polar Surface Area: 96.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.87
• LOG S: -0.98
• Polar Surface Area: 96.6 Å^2
• Rotatable Bonds: 4