N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide

C16H15F3N2OS — CID 18288969

IUPACN-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide
SMILESCCc1cccc(NC(=O)c2cccnc2SCC(F)(F)F)c1
InChIInChI=1S/C16H15F3N2OS/c1-2-11-5-3-6-12(9-11)21-14(22)13-7-4-8-20-15(13)23-10-16(17,18)19/h3-9H,2,10H2,1H3,(H,21,22)
InChIKeyMVWIJLSTPVOBDF-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.55
Rot. Bonds5

About N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide

N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide (PubChem CID 18288969) has the molecular formula C16H15F3N2OS and a molecular weight of 340.37 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide
PubChem CID18288969
Molecular FormulaC16H15F3N2OS
Molecular Weight340.37 g/mol
Exact Mass340.09
IUPAC NameN-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide
SMILESCCc1cccc(NC(=O)c2cccnc2SCC(F)(F)F)c1
InChIInChI=1S/C16H15F3N2OS/c1-2-11-5-3-6-12(9-11)21-14(22)13-7-4-8-20-15(13)23-10-16(17,18)19/h3-9H,2,10H2,1H3,(H,21,22)
InChIKeyMVWIJLSTPVOBDF-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide
CID 18284821
2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 65346541
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 38614359
N-(3-propan-2-yloxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093989
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23151100
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
CID 80718870
N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944134
2-[[2-(cyclopropylamino)pyrimidin-4-yl]methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118249997
N-(3-ethylphenyl)-2-methylsulfanylbenzamide
CID 2591348
2-[[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11775583
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093756
2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 55760593

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide (CID 18288969) is N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide is CCc1cccc(NC(=O)c2cccnc2SCC(F)(F)F)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is MVWIJLSTPVOBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2OS/c1-2-11-5-3-6-12(9-11)21-14(22)13-7-4-8-20-15(13)23-10-16(17,18)19/h3-9H,2,10H2,1H3,(H,21,22).
What are the key properties of N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide?
N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 18288969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).