5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

C21H19F3N2O2S — CID 58808551

IUPAC5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCCc1cc(-c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)s2)c(C)[nH]c1=O
InChIInChI=1S/C21H19F3N2O2S/c1-3-14-10-16(12(2)26-19(14)27)17-8-9-18(29-17)20(28)25-11-13-4-6-15(7-5-13)21(22,23)24/h4-10H,3,11H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCTRKHZVSSZMYKX-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.92
Rot. Bonds5

About 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 58808551) has the molecular formula C21H19F3N2O2S and a molecular weight of 420.46 g/mol. Its IUPAC name is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID58808551
Molecular FormulaC21H19F3N2O2S
Molecular Weight420.46 g/mol
Exact Mass420.11
IUPAC Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCCc1cc(-c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)s2)c(C)[nH]c1=O
InChIInChI=1S/C21H19F3N2O2S/c1-3-14-10-16(12(2)26-19(14)27)17-8-9-18(29-17)20(28)25-11-13-4-6-15(7-5-13)21(22,23)24/h4-10H,3,11H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCTRKHZVSSZMYKX-UHFFFAOYSA-N
XLogP4.92
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (CID 58808551) is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is CCc1cc(-c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)s2)c(C)[nH]c1=O.
What is the InChIKey of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is CTRKHZVSSZMYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2S/c1-3-14-10-16(12(2)26-19(14)27)17-8-9-18(29-17)20(28)25-11-13-4-6-15(7-5-13)21(22,23)24/h4-10H,3,11H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 58808551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).