8-(2-aminopyridine-4-carbonyl)-2-(3-methylbut-2-en-1-yl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 525468
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)c1cc(ncc1)N)CC2)CC=C(C)C
• Canonical SMILES: CC(=CCN1CC2(CC1=O)CCN(CC2)C(=O)c1ccnc(c1)N)C
• InChI: InChI=1S/C19H26N4O2/c1-14(2)4-8-23-13-19(12-17(23)24)5-9-22(10-6-19)18(25)15-3-7-21-16(20)11-15/h3-4,7,11H,5-6,8-10,12-13H2,1-2H3,(H2,20,21)
• InChIKey: KZOJLWZCUGIXFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-aminopyridine-4-carbonyl)-2-(3-methylbut-2-en-1-yl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(2-aminopyridine-4-carbonyl)-2-(3-methylbut-2-en-1-yl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(2-aminoisonicotinoyl)-2-(3-methyl-2-buten-1-yl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.49867684
• LogD (pH = 7.4): 0.61853546
• Log P: 0.6203182
• Molar Refractivity: 99.4661 cm^3
• Polarizability: 36.86109 Å^3
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.25
• LOG S: -2.76
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 3