N-[2-(N-methylmethanesulfonamido)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 601010
• Molecular Formular: C12H16N4O3S
• Molecular Mass: 296.34544
• Monoisotopic Mass: 296.09431139
• SMILES: S(=O)(=O)(N(CCNC(=O)c1cn2c(ncc2)cc1)C)C
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)NCCN(S(=O)(=O)C)C
• InChI: InChI=1S/C12H16N4O3S/c1-15(20(2,18)19)7-5-14-12(17)10-3-4-11-13-6-8-16(11)9-10/h3-4,6,8-9H,5,7H2,1-2H3,(H,14,17)
• InChIKey: KOKMALAUATXVQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(N-methylmethanesulfonamido)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[2-(N-methylmethanesulfonamido)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-{2-[methyl(methylsulfonyl)amino]ethyl}imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.260055
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0579834
• LogD (pH = 7.4): -1.4504868
• Log P: -1.4255565
• Molar Refractivity: 75.8028 cm^3
• Polarizability: 28.885738 Å^3
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.04
• LOG S: -2.64
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 4