N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide

C18H20N2O2SSi — CID 24953135

IUPACN-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide
SMILESC[Si](C)(C)C#Cc1cncc(C(=O)N=[S@@](C)(=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O2SSi/c1-23(22,17-8-6-5-7-9-17)20-18(21)16-12-15(13-19-14-16)10-11-24(2,3)4/h5-9,12-14H,1-4H3/t23-/m0/s1
InChIKeyLLFIXDMGNGTHCS-QHCPKHFHSA-N
MW356.52 g/mol
LogP3.61
Rot. Bonds2

About N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide

N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide (PubChem CID 24953135) has the molecular formula C18H20N2O2SSi and a molecular weight of 356.52 g/mol. Its IUPAC name is N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide
PubChem CID24953135
Molecular FormulaC18H20N2O2SSi
Molecular Weight356.52 g/mol
Exact Mass356.10
IUPAC NameN-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide
SMILESC[Si](C)(C)C#Cc1cncc(C(=O)N=[S@@](C)(=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O2SSi/c1-23(22,17-8-6-5-7-9-17)20-18(21)16-12-15(13-19-14-16)10-11-24(2,3)4/h5-9,12-14H,1-4H3/t23-/m0/s1
InChIKeyLLFIXDMGNGTHCS-QHCPKHFHSA-N
XLogP3.61
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N3-(1-methyl-1-oxo-1-phenyl-lambda~6~-sulfanylidene)-2-(methylthio)nicotinamide
CID 2819887
2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide
CID 2821375
N-[methyl(oxo)phenyl-lambda6-sulfanylidene]-5-(phenylethynyl)nicotinamide
CID 2822405
(S)-5-[(2-fluorophenyl)ethynyl]-N-[methyl(oxo)phenyl-lambda6-sulfanylidene]nicotinamide
CID 24952433
5-[2-(2-fluorophenyl)ethynyl]-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)pyridine-3-carboxamide
CID 57657872
[5-[(2,4-Difluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211190
[5-[(2-Fluorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211605
5-[2-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]ethynyl]-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)pyridine-3-carboxamide
CID 58486618
5-[2-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]ethynyl]-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)pyridine-3-carboxamide
CID 58486624
N-[(3-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide
CID 87164936
5-[2-(4-fluoro-3-methylphenyl)ethynyl]-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]pyridine-3-carboxamide
CID 87164948
5-[2-(3-fluorophenyl)ethynyl]-N-[methyl-(3-methylphenyl)-oxo-lambda6-sulfanylidene]pyridine-3-carboxamide
CID 87164967

Frequently Asked Questions

What is the IUPAC name of N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide?
The IUPAC name of N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide (CID 24953135) is N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide?
The canonical SMILES for N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide is C[Si](C)(C)C#Cc1cncc(C(=O)N=[S@@](C)(=O)c2ccccc2)c1.
What is the InChIKey of N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide?
The InChIKey is LLFIXDMGNGTHCS-QHCPKHFHSA-N. The full InChI is InChI=1S/C18H20N2O2SSi/c1-23(22,17-8-6-5-7-9-17)20-18(21)16-12-15(13-19-14-16)10-11-24(2,3)4/h5-9,12-14H,1-4H3/t23-/m0/s1.
What are the key properties of N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide?
N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide has a molecular weight of 356.52 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide is sourced from PubChem (CID 24953135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).