N-cyclopropyl-2-[9-oxo-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]acetamide

• ChemBase ID: 642431
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: N1(C(=O)CCC2(C1)CN(CC(=O)NC1CC1)CCC2)Cc1ncccc1
• Canonical SMILES: O=C(CN1CCCC2(C1)CCC(=O)N(C2)Cc1ccccn1)NC1CC1
• InChI: InChI=1S/C20H28N4O2/c25-18(22-16-5-6-16)13-23-11-3-8-20(14-23)9-7-19(26)24(15-20)12-17-4-1-2-10-21-17/h1-2,4,10,16H,3,5-9,11-15H2,(H,22,25)
• InChIKey: KNRXRICSSRJYHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-[9-oxo-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]acetamide
• IUPAC Traditional name: N-cyclopropyl-2-[9-oxo-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]acetamide
• Synonyms: N-cyclopropyl-2-[9-oxo-8-(2-pyridinylmethyl)-2,8-diazaspiro[5.5]undec-2-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.25241
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.900362
• LogD (pH = 7.4): -0.22050206
• Log P: 0.17917414
• Molar Refractivity: 98.9444 cm^3
• Polarizability: 38.811764 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.56
• LOG S: -0.98
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 5