2-{2,7-diazaspiro[4.5]decan-2-yl}pyridine-4-carboxamide

• ChemBase ID: 469396
• Molecular Formular: C14H20N4O
• Molecular Mass: 260.3348
• Monoisotopic Mass: 260.16371128
• SMILES: N1(c2cc(C(=O)N)ccn2)CC2(CC1)CNCCC2
• Canonical SMILES: NC(=O)c1ccnc(c1)N1CCC2(C1)CCCNC2
• InChI: InChI=1S/C14H20N4O/c15-13(19)11-2-6-17-12(8-11)18-7-4-14(10-18)3-1-5-16-9-14/h2,6,8,16H,1,3-5,7,9-10H2,(H2,15,19)
• InChIKey: YGIDSZOWRCYEAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2,7-diazaspiro[4.5]decan-2-yl}pyridine-4-carboxamide
• IUPAC Traditional name: 2-{2,7-diazaspiro[4.5]decan-2-yl}pyridine-4-carboxamide
• Synonyms: 2-(2,7-diazaspiro[4.5]dec-2-yl)isonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.855747
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.8153663
• LogD (pH = 7.4): -2.0982084
• Log P: 0.47344944
• Molar Refractivity: 75.2085 cm^3
• Polarizability: 28.206615 Å^3
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.51
• LOG S: -1.53
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 2