N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide

C9H9F3N2O2S — CID 59882075

IUPACN-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCS(C)(=O)=NC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O2S/c1-17(2,16)14-8(15)6-5-13-4-3-7(6)9(10,11)12/h3-5H,1-2H3
InChIKeyOCEZLRAHSQYUCR-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.97
Rot. Bonds1

About N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 59882075) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID59882075
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC NameN-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCS(C)(=O)=NC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O2S/c1-17(2,16)14-8(15)6-5-13-4-3-7(6)9(10,11)12/h3-5H,1-2H3
InChIKeyOCEZLRAHSQYUCR-UHFFFAOYSA-N
XLogP1.97
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
N-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 162602710
N,N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethenamine
CID 146641164
(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707666
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
ethylamino N'-[4-(trifluoromethyl)pyridine-3-carbonyl]carbamimidothioate
CID 87908301
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707550
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
[4-(trifluoromethyl)-3-pyridinyl] trifluoromethanesulfonate
CID 139986270
2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707574

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 59882075) is N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide is CS(C)(=O)=NC(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OCEZLRAHSQYUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c1-17(2,16)14-8(15)6-5-13-4-3-7(6)9(10,11)12/h3-5H,1-2H3.
What are the key properties of N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 266.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59882075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).