N-methyl-3-{9-oxo-8-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-2-yl}propanamide

• ChemBase ID: 733900
• Molecular Formular: C20H30N4O2
• Molecular Mass: 358.4778
• Monoisotopic Mass: 358.23687622
• SMILES: N1(C(=O)CCC2(C1)CN(CCC(=O)NC)CCC2)CCc1ncccc1
• Canonical SMILES: CNC(=O)CCN1CCCC2(C1)CCC(=O)N(C2)CCc1ccccn1
• InChI: InChI=1S/C20H30N4O2/c1-21-18(25)8-13-23-12-4-9-20(15-23)10-6-19(26)24(16-20)14-7-17-5-2-3-11-22-17/h2-3,5,11H,4,6-10,12-16H2,1H3,(H,21,25)
• InChIKey: QREAZDHFZYZFCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-{9-oxo-8-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-2-yl}propanamide
• IUPAC Traditional name: N-methyl-3-{9-oxo-8-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-2-yl}propanamide
• Synonyms: N-methyl-3-{9-oxo-8-[2-(2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undec-2-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.001253
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1645987
• LogD (pH = 7.4): -1.6623195
• Log P: 0.18763508
• Molar Refractivity: 101.132 cm^3
• Polarizability: 39.53911 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.39
• LOG S: -0.85
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 6