2,2-dimethyl-N-{3-[2-(trimethylsilyl)ethynyl]pyridin-2-yl}propanamide

• ChemBase ID: 23745
• Molecular Formular: C15H22N2OSi
• Molecular Mass: 274.43348
• Monoisotopic Mass: 274.15013987
• SMILES: c1cnc(c(c1)C#C[Si](C)(C)C)NC(=O)C(C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)Nc1ncccc1C#C[Si](C)(C)C
• InChI: InChI=1S/C15H22N2OSi/c1-15(2,3)14(18)17-13-12(8-7-10-16-13)9-11-19(4,5)6/h7-8,10H,1-6H3,(H,16,17,18)
• InChIKey: DYSXZOBEDACASN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-N-{3-[2-(trimethylsilyl)ethynyl]pyridin-2-yl}propanamide
• IUPAC Traditional name: 2,2-dimethyl-N-{3-[2-(trimethylsilyl)ethynyl]pyridin-2-yl}propanamide
• Synonyms: 2,2-Dimethyl-N-(3-trimethylsilanylethynyl-pyridin-2-yl)-propionamide; 2,2-Dimethyl-N-(3-trimethylsilanylethynyl-pyridin-2-yl)-propionamide

Database IDs

• CAS Number: 499193-46-3
• MDL Number: MFCD08235135
• PubChem SID: 160987052
• PubChem CID: 24229179

CALCULATED PROPERTIES

• Acid pKa: 11.662273
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.6109304
• LogD (pH = 7.4): 4.6136417
• Log P: 4.6137
• Molar Refractivity: 73.0166 cm^3
• Polarizability: 30.871382 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C15H22N2OSi

DETAILS

Sigma Aldrich - ADE000369

Other Notes
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