N,2,2-trimethyl-N-(pyridin-2-yl)propanamide

• ChemBase ID: 90159
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N(c1ncccc1)(C)C(=O)C(C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)N(c1ccccn1)C
• InChI: InChI=1S/C11H16N2O/c1-11(2,3)10(14)13(4)9-7-5-6-8-12-9/h5-8H,1-4H3
• InChIKey: VAJOCXVTBPSATB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,2-trimethyl-N-(pyridin-2-yl)propanamide
• IUPAC Traditional name: N,2,2-trimethyl-N-(pyridin-2-yl)propanamide
• Synonyms: N-Methyl-N-(pyridin-2-yl)pivalamide; N-Methyl-N-(pyridin-2-yl)pivalamide; N,2,2-Trimethyl-N-(pyridin-2-yl)propanamide

Database IDs

• CAS Number: 96830-03-4
• PubChem SID: 162104765
• PubChem CID: 13352178

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.250831
• LogD (pH = 7.4): 2.2513373
• Log P: 2.2513437
• Molar Refractivity: 55.8959 cm^3
• Polarizability: 21.675957 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%