2-[2-(methylamino)pyridine-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 642833
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: N1(C(=O)c2cc(ncc2)NC)CC2(C(=O)NCCC2)CC1
• Canonical SMILES: CNc1nccc(c1)C(=O)N1CCC2(C1)CCCNC2=O
• InChI: InChI=1S/C15H20N4O2/c1-16-12-9-11(3-7-17-12)13(20)19-8-5-15(10-19)4-2-6-18-14(15)21/h3,7,9H,2,4-6,8,10H2,1H3,(H,16,17)(H,18,21)
• InChIKey: HZWXEVGLMDWAPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(methylamino)pyridine-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[2-(methylamino)pyridine-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[2-(methylamino)isonicotinoyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.863853
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.23987526
• LogD (pH = 7.4): -0.15221538
• Log P: -0.15096556
• Molar Refractivity: 80.9964 cm^3
• Polarizability: 29.76071 Å^3
• Polar Surface Area: 74.33 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: -1.12
• LOG S: -1.66
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 2