2,2-dimethyl-N-[2-(trimethylsilyl)furo[3,2-b]pyridin-7-yl]propanamide

• ChemBase ID: 33033
• Molecular Formular: C15H22N2O2Si
• Molecular Mass: 290.43288
• Monoisotopic Mass: 290.14505449
• SMILES: c1cnc2c(c1NC(=O)C(C)(C)C)oc(c2)[Si](C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)Nc1ccnc2c1oc(c2)[Si](C)(C)C
• InChI: InChI=1S/C15H22N2O2Si/c1-15(2,3)14(18)17-10-7-8-16-11-9-12(19-13(10)11)20(4,5)6/h7-9H,1-6H3,(H,16,17,18)
• InChIKey: FWOPZJYMLLPQNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-N-[2-(trimethylsilyl)furo[3,2-b]pyridin-7-yl]propanamide
• IUPAC Traditional name: 2,2-dimethyl-N-[2-(trimethylsilyl)furo[3,2-b]pyridin-7-yl]propanamide
• Synonyms: N-(2-(Trimethylsilyl)furo[3,2-b]pyridin-7-yl)pivalamide; N-(2-(Trimethylsilyl)furo[3,2-b]pyridin-7-yl)pivalamide; N-(2-(Trimethylsilyl)furo[3,2-b]pyridin-7-yl)-pivalamide

Database IDs

• CAS Number: 1142192-62-8
• MDL Number: MFCD12026773
• PubChem SID: 160996340
• PubChem CID: 46736893

CALCULATED PROPERTIES

• Acid pKa: 11.589247
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.111073
• LogD (pH = 7.4): 4.120945
• Log P: 4.1211
• Molar Refractivity: 76.2525 cm^3
• Polarizability: 32.68066 Å^3
• Polar Surface Area: 55.13 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): C15H22N2O2Si

DETAILS

Sigma Aldrich - ADE001148

Other Notes
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Legal Information
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