N-(2-methoxypyridin-3-yl)-2,2-dimethylpropanamide

• ChemBase ID: 33014
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: c1cnc(c(c1)NC(=O)C(C)(C)C)OC
• Canonical SMILES: COc1ncccc1NC(=O)C(C)(C)C
• InChI: InChI=1S/C11H16N2O2/c1-11(2,3)10(14)13-8-6-5-7-12-9(8)15-4/h5-7H,1-4H3,(H,13,14)
• InChIKey: FPRBOVWSWSYETA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxypyridin-3-yl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(2-methoxypyridin-3-yl)-2,2-dimethylpropanamide
• Synonyms: N-(2-Methoxypyridin-3-yl)pivalamide; N-(2-Methoxypyridin-3-yl)pivalamide

Database IDs

• CAS Number: 125867-19-8
• MDL Number: MFCD12026764
• PubChem SID: 160996321
• PubChem CID: 10889120

CALCULATED PROPERTIES

• Acid pKa: 11.3938875
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2293024
• LogD (pH = 7.4): 2.2295609
• Log P: 2.2296064
• Molar Refractivity: 59.2432 cm^3
• Polarizability: 22.361866 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 3
• 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 - ADE000626

Other Notes
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Legal Information
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