N-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide

C12H15F3N2OS — CID 146083234

IUPACN-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCSCCCNC(=O)c1cccnc1C(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c1-2-19-8-4-7-17-11(18)9-5-3-6-16-10(9)12(13,14)15/h3,5-6H,2,4,7-8H2,1H3,(H,17,18)
InChIKeyNIVWAZDNQGOLMD-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.97
Rot. Bonds6

About N-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide

N-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146083234) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146083234
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC NameN-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCSCCCNC(=O)c1cccnc1C(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c1-2-19-8-4-7-17-11(18)9-5-3-6-16-10(9)12(13,14)15/h3,5-6H,2,4,7-8H2,1H3,(H,17,18)
InChIKeyNIVWAZDNQGOLMD-UHFFFAOYSA-N
XLogP2.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120527844
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
2-(trifluoromethyl)pyridine-3-carbohydrazide
CID 67037194
N-(3-ethylsulfanylpropyl)-2-hydroxy-3-methylbenzamide
CID 114248145
N-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 102562564
N-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 118121331
2-(3-ethylsulfanylpropylcarbamoyl)pyridine-4-carboxylic acid
CID 122056379
4-methyl-2-[[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]pentanoic acid
CID 120528438
N-(3-ethylsulfanylpropyl)-2,6-dihydroxybenzamide
CID 114248142
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522135
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629
2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 107358720

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide (CID 146083234) is N-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide is CCSCCCNC(=O)c1cccnc1C(F)(F)F.
What is the InChIKey of N-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NIVWAZDNQGOLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-2-19-8-4-7-17-11(18)9-5-3-6-16-10(9)12(13,14)15/h3,5-6H,2,4,7-8H2,1H3,(H,17,18).
What are the key properties of N-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
N-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146083234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).