methyl 6-{8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}pyridine-3-carboxylate

• ChemBase ID: 696149
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: N1(C(=O)CCC2(C1)CN(c1ncc(C(=O)OC)cc1)CCC2)C1CC1
• Canonical SMILES: COC(=O)c1ccc(nc1)N1CCCC2(C1)CCC(=O)N(C2)C1CC1
• InChI: InChI=1S/C19H25N3O3/c1-25-18(24)14-3-6-16(20-11-14)21-10-2-8-19(12-21)9-7-17(23)22(13-19)15-4-5-15/h3,6,11,15H,2,4-5,7-10,12-13H2,1H3
• InChIKey: AQAOCDJDHYVFSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-{8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}pyridine-3-carboxylate
• IUPAC Traditional name: methyl 6-{8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}pyridine-3-carboxylate
• Synonyms: methyl 6-(8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)nicotinate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.925955
• LogD (pH = 7.4): 1.9670159
• Log P: 1.9675671
• Molar Refractivity: 94.8878 cm^3
• Polarizability: 36.134106 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.05
• LOG S: -3.46
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4