N-(3-hydroxy-5-methylpyridin-2-yl)-2,2-dimethylpropanamide

• ChemBase ID: 50550
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: c1(cnc(c(c1)O)NC(=O)C(C)(C)C)C
• Canonical SMILES: Cc1cnc(c(c1)O)NC(=O)C(C)(C)C
• InChI: InChI=1S/C11H16N2O2/c1-7-5-8(14)9(12-6-7)13-10(15)11(2,3)4/h5-6,14H,1-4H3,(H,12,13,15)
• InChIKey: RZYQPAXMKHZVFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxy-5-methylpyridin-2-yl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(3-hydroxy-5-methylpyridin-2-yl)-2,2-dimethylpropanamide
• Synonyms: N-(3-hydroxy-5-methylpyridin-2-yl)pivalamide; N-(3-Hydroxy-5-methylpyridin-2-yl)pivalamide

Database IDs

• CAS Number: 1203499-11-9
• MDL Number: MFCD13563039
• PubChem SID: 162055313
• PubChem CID: 46318099

CALCULATED PROPERTIES

• Acid pKa: 8.169751
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5186372
• LogD (pH = 7.4): 2.5290656
• Log P: 2.5971339
• Molar Refractivity: 59.8021 cm^3
• Polarizability: 22.215557 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C11H16N2O2

DETAILS

Sigma Aldrich - ADE000735

Other Notes
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