3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide

C13H10F3N3O2S — CID 66897712

IUPAC3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide
SMILESCSc1cnccc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C13H10F3N3O2S/c1-22-10-6-17-3-2-8(10)11(20)19-9-4-7(13(14,15)16)5-18-12(9)21/h2-6H,1H3,(H,18,21)(H,19,20)
InChIKeyXHIWEFLHNBCPLX-UHFFFAOYSA-N
MW329.30 g/mol
LogP2.76
Rot. Bonds3

About 3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide

3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide (PubChem CID 66897712) has the molecular formula C13H10F3N3O2S and a molecular weight of 329.30 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide
PubChem CID66897712
Molecular FormulaC13H10F3N3O2S
Molecular Weight329.30 g/mol
Exact Mass329.04
IUPAC Name3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide
SMILESCSc1cnccc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C13H10F3N3O2S/c1-22-10-6-17-3-2-8(10)11(20)19-9-4-7(13(14,15)16)5-18-12(9)21/h2-6H,1H3,(H,18,21)(H,19,20)
InChIKeyXHIWEFLHNBCPLX-UHFFFAOYSA-N
XLogP2.76
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide
CID 78902755
N-[2-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 56522082
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(trifluoromethoxy)benzamide
CID 55488373
2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 119399141
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66464004
4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide
CID 55794847
2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride
CID 119399140
1-(3-bromophenyl)-2,5-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrole-3-carboxamide
CID 55993941
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropanecarboxamide
CID 47137245
2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103874425
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81234405
1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55737389

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide (CID 66897712) is 3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide is CSc1cnccc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide?
The InChIKey is XHIWEFLHNBCPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2S/c1-22-10-6-17-3-2-8(10)11(20)19-9-4-7(13(14,15)16)5-18-12(9)21/h2-6H,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide?
3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide has a molecular weight of 329.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 66897712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).