6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile

C15H13F3N4S — CID 171788240

IUPAC6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCNc1cc(C(F)(F)F)c(C#N)c(Nc2ccccc2SC)n1
InChIInChI=1S/C15H13F3N4S/c1-20-13-7-10(15(16,17)18)9(8-19)14(22-13)21-11-5-3-4-6-12(11)23-2/h3-7H,1-2H3,(H2,20,21,22)
InChIKeyQGTKSRRITNVZMB-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.48
Rot. Bonds4

About 6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile

6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 171788240) has the molecular formula C15H13F3N4S and a molecular weight of 338.36 g/mol. Its IUPAC name is 6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID171788240
Molecular FormulaC15H13F3N4S
Molecular Weight338.36 g/mol
Exact Mass338.08
IUPAC Name6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCNc1cc(C(F)(F)F)c(C#N)c(Nc2ccccc2SC)n1
InChIInChI=1S/C15H13F3N4S/c1-20-13-7-10(15(16,17)18)9(8-19)14(22-13)21-11-5-3-4-6-12(11)23-2/h3-7H,1-2H3,(H2,20,21,22)
InChIKeyQGTKSRRITNVZMB-UHFFFAOYSA-N
XLogP4.48
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-hydroxypyrrolidin-1-yl)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 171788217
2-[2-(difluoromethylsulfanyl)anilino]-6-piperazin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 171788220
2-(5-chloro-2-methylsulfanylanilino)-6-piperazin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 171788171
3-methyl-5-(2-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile
CID 107646947
[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide
CID 10913190
3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine
CID 114072745
6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80763069
2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile
CID 80792103
2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 57336351
3-fluoro-5-(2-methylsulfanylanilino)benzonitrile
CID 107644883
2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 141497615
tert-butyl (3aR,6aS)-2-[5-cyano-6-[5-(2-methoxy-2-oxoethyl)-2-methylsulfanylanilino]-4-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 171788213

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 171788240) is 6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile is CNc1cc(C(F)(F)F)c(C#N)c(Nc2ccccc2SC)n1.
What is the InChIKey of 6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is QGTKSRRITNVZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4S/c1-20-13-7-10(15(16,17)18)9(8-19)14(22-13)21-11-5-3-4-6-12(11)23-2/h3-7H,1-2H3,(H2,20,21,22).
What are the key properties of 6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 338.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-2-(2-methylsulfanylanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 171788240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).