N-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide

C14H9F5N2OS — CID 122158437

IUPACN-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide
SMILESCSc1c(F)cc(NC(=O)c2ccncc2C(F)(F)F)cc1F
InChIInChI=1S/C14H9F5N2OS/c1-23-12-10(15)4-7(5-11(12)16)21-13(22)8-2-3-20-6-9(8)14(17,18)19/h2-6H,1H3,(H,21,22)
InChIKeyMWBSVQGXEKZVNT-UHFFFAOYSA-N
MW348.30 g/mol
LogP4.35
Rot. Bonds3

About N-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide

N-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 122158437) has the molecular formula C14H9F5N2OS and a molecular weight of 348.30 g/mol. Its IUPAC name is N-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID122158437
Molecular FormulaC14H9F5N2OS
Molecular Weight348.30 g/mol
Exact Mass348.04
IUPAC NameN-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide
SMILESCSc1c(F)cc(NC(=O)c2ccncc2C(F)(F)F)cc1F
InChIInChI=1S/C14H9F5N2OS/c1-23-12-10(15)4-7(5-11(12)16)21-13(22)8-2-3-20-6-9(8)14(17,18)19/h2-6H,1H3,(H,21,22)
InChIKeyMWBSVQGXEKZVNT-UHFFFAOYSA-N
XLogP4.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 58243648
N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 142421392
N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64949859
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
N-(3,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442995
N-(3,4-difluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068229
3-(trifluoromethyl)pyridine-4-carboxylate
CID 26986367
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 122687083
tert-butyl N-[[3-(trifluoromethyl)pyridine-4-carbonyl]amino]carbamate
CID 175174344
N-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 156859626
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405
3-fluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103738947

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide (CID 122158437) is N-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide is CSc1c(F)cc(NC(=O)c2ccncc2C(F)(F)F)cc1F.
What is the InChIKey of N-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is MWBSVQGXEKZVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5N2OS/c1-23-12-10(15)4-7(5-11(12)16)21-13(22)8-2-3-20-6-9(8)14(17,18)19/h2-6H,1H3,(H,21,22).
What are the key properties of N-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide?
N-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 348.30 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 122158437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).