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1105675-62-4 molecular structure
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5-methoxy-N-phenyl-4-(trimethylsilyl)pyridine-3-carboxamide

ChemBase ID: 32471
Molecular Formular: C16H20N2O2Si
Molecular Mass: 300.4277
Monoisotopic Mass: 300.12940442
SMILES and InChIs

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

Cite this record

CBID:32471 http://www.chembase.cn/molecule-32471.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
1105675-62-4
MDL Number
MFCD11857619
PubChem SID
160995778
PubChem CID
46736741

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.623019  H Acceptors
H Donor LogD (pH = 5.5) 3.1206226 
LogD (pH = 7.4) 3.1224737  Log P 3.1225 
Molar Refractivity 81.9614 cm3 Polarizability 33.014572 Å3
Polar Surface Area 51.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C16H20N2O2Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000474 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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