2,2-dimethyl-N-(6-methylpyridin-2-yl)propanamide

• ChemBase ID: 816248
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: c1cc(nc(c1)C)NC(=O)C(C)(C)C
• Canonical SMILES: Cc1cccc(n1)NC(=O)C(C)(C)C
• InChI: InChI=1S/C11H16N2O/c1-8-6-5-7-9(12-8)13-10(14)11(2,3)4/h5-7H,1-4H3,(H,12,13,14)
• InChIKey: MAZMJMLUKYPLEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-N-(6-methylpyridin-2-yl)propanamide
• IUPAC Traditional name: 2,2-dimethyl-N-(6-methylpyridin-2-yl)propanamide
• Synonyms: 2-PIVALOYLAMINO-6-PICOLINE

Database IDs

• CAS Number: 86847-79-2

CALCULATED PROPERTIES

• Acid pKa: 12.004214
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4441519
• LogD (pH = 7.4): 2.5176108
• Log P: 2.518648
• Molar Refractivity: 57.3715 cm^3
• Polarizability: 21.599762 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%