3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

C15H11F6N3O3S2 — CID 90258825

IUPAC3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCSc1cc(C(F)(F)F)cnc1C(=O)Nc1cc(S(=O)C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C15H11F6N3O3S2/c1-2-28-10-3-7(14(16,17)18)5-22-11(10)13(26)24-9-4-8(6-23-12(9)25)29(27)15(19,20)21/h3-6H,2H2,1H3,(H,23,25)(H,24,26)
InChIKeyJIJMRCKKPQPQCT-UHFFFAOYSA-N
MW459.39 g/mol
LogP3.78
Rot. Bonds5

About 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 90258825) has the molecular formula C15H11F6N3O3S2 and a molecular weight of 459.39 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID90258825
Molecular FormulaC15H11F6N3O3S2
Molecular Weight459.39 g/mol
Exact Mass459.01
IUPAC Name3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCSc1cc(C(F)(F)F)cnc1C(=O)Nc1cc(S(=O)C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C15H11F6N3O3S2/c1-2-28-10-3-7(14(16,17)18)5-22-11(10)13(26)24-9-4-8(6-23-12(9)25)29(27)15(19,20)21/h3-6H,2H2,1H3,(H,23,25)(H,24,26)
InChIKeyJIJMRCKKPQPQCT-UHFFFAOYSA-N
XLogP3.78
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide
CID 118392765
3-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 150785673
5-(4-cyclopropylphenyl)-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 167506885
3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 118148696
5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide
CID 78902755
N-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanylnaphthalene-2-carboxamide
CID 163948303
3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide
CID 66897712
2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 162564794
2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide
CID 118535345
5-(3-cyclopropyl-1,2,4-triazin-6-yl)-3-ethylsulfanyl-N-[2-(methylamino)-5-(1,1,2,2,2-pentafluoroethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 167506775
N-[2-[[(4-bromo-2-pyridinyl)methylideneamino]carbamoyl]-4,6-difluorophenyl]-3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 165389593
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)-5H-imidazo[4,5-c]pyridin-4-one
CID 145063627

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 90258825) is 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is CCSc1cc(C(F)(F)F)cnc1C(=O)Nc1cc(S(=O)C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JIJMRCKKPQPQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N3O3S2/c1-2-28-10-3-7(14(16,17)18)5-22-11(10)13(26)24-9-4-8(6-23-12(9)25)29(27)15(19,20)21/h3-6H,2H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 459.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 90258825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).