2-{7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-N-ethylpyridine-4-carboxamide

• ChemBase ID: 585977
• Molecular Formular: C22H32N4O2
• Molecular Mass: 384.51508
• Monoisotopic Mass: 384.25252628
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(c2cc(C(=O)NCC)ccn2)CC1
• Canonical SMILES: CCNC(=O)c1ccnc(c1)N1CCC2(C1)CCCN(C2=O)C1CCCCC1
• InChI: InChI=1S/C22H32N4O2/c1-2-23-20(27)17-9-12-24-19(15-17)25-14-11-22(16-25)10-6-13-26(21(22)28)18-7-4-3-5-8-18/h9,12,15,18H,2-8,10-11,13-14,16H2,1H3,(H,23,27)
• InChIKey: XBTCHGSJLJQLHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-N-ethylpyridine-4-carboxamide
• IUPAC Traditional name: 2-{7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-N-ethylpyridine-4-carboxamide
• Synonyms: 2-(7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-N-ethylisonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.31759
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5801122
• LogD (pH = 7.4): 2.6395614
• Log P: 2.6403787
• Molar Refractivity: 110.994 cm^3
• Polarizability: 41.89554 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.49
• LOG S: -2.42
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 4