5-methoxy-N-phenyl-4-(trimethylsilyl)pyridine-3-carboxamide

• ChemBase ID: 32471
• Molecular Formular: C16H20N2O2Si
• Molecular Mass: 300.4277
• Monoisotopic Mass: 300.12940442
• SMILES: c1(cncc(c1[Si](C)(C)C)C(=O)Nc1ccccc1)OC
• Canonical SMILES: COc1cncc(c1[Si](C)(C)C)C(=O)Nc1ccccc1
• InChI: InChI=1S/C16H20N2O2Si/c1-20-14-11-17-10-13(15(14)21(2,3)4)16(19)18-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,18,19)
• InChIKey: DANYRTOROYBZFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-N-phenyl-4-(trimethylsilyl)pyridine-3-carboxamide
• IUPAC Traditional name: 5-methoxy-N-phenyl-4-(trimethylsilyl)pyridine-3-carboxamide
• Synonyms: 5-Methoxy-N-phenyl-4-(trimethylsilyl)nicotinamide; 5-Methoxy-N-phenyl-4-(trimethylsilyl)nicotinamide

Database IDs

• CAS Number: 1105675-62-4
• MDL Number: MFCD11857619
• PubChem SID: 160995778
• PubChem CID: 46736741

CALCULATED PROPERTIES

• Acid pKa: 12.623019
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1206226
• LogD (pH = 7.4): 3.1224737
• Log P: 3.1225
• Molar Refractivity: 81.9614 cm^3
• Polarizability: 33.014572 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C16H20N2O2Si

DETAILS

Sigma Aldrich - ADE000474

Other Notes
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