N-cyclohexyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide

C15H19F3N2OS — CID 91348728

IUPACN-cyclohexyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCSc1nc(C(F)(F)F)ccc1C(=O)NC1CCCCC1
InChIInChI=1S/C15H19F3N2OS/c1-2-22-14-11(8-9-12(20-14)15(16,17)18)13(21)19-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,19,21)
InChIKeyWHLXMQGIHPBFHZ-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.27
Rot. Bonds4

About N-cyclohexyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-cyclohexyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 91348728) has the molecular formula C15H19F3N2OS and a molecular weight of 332.39 g/mol. Its IUPAC name is N-cyclohexyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID91348728
Molecular FormulaC15H19F3N2OS
Molecular Weight332.39 g/mol
Exact Mass332.12
IUPAC NameN-cyclohexyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCSc1nc(C(F)(F)F)ccc1C(=O)NC1CCCCC1
InChIInChI=1S/C15H19F3N2OS/c1-2-22-14-11(8-9-12(20-14)15(16,17)18)13(21)19-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,19,21)
InChIKeyWHLXMQGIHPBFHZ-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide
CID 15016062
N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide
CID 2505911
N-cyclohexyl-N-methyl-2-propylsulfanylpyridine-3-carboxamide
CID 60165516
N-(4,4-difluorocyclohexyl)-2-propylsulfanylpyridine-3-carboxamide
CID 60165517
N-(2,4-difluorophenyl)-6-(isopropylsulfanyl)nicotinamide
CID 1486221
4,6-Dimethyl-2-propylsulfanyl-nicotinamide
CID 2906254
N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 2572037
2-(methylsulfanyl)-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4877259
2-[(4-Acetyl-phenylcarbamoyl)-methylsulfanyl]-4,6-dimethyl-nicotinamide
CID 613984
6-Isobutylsulfanyl-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105714
2-(Methylthio)-6-phenylnicotinamide
CID 2215090
2-(Methylthio)-N-(2,3,4-trifluorophenyl)nicotinamide
CID 2437891

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 91348728) is N-cyclohexyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide is CCSc1nc(C(F)(F)F)ccc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WHLXMQGIHPBFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2OS/c1-2-22-14-11(8-9-12(20-14)15(16,17)18)13(21)19-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,19,21).
What are the key properties of N-cyclohexyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-cyclohexyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 91348728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).