4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide

C14H7ClF5N3O2S — CID 146323161

IUPAC4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESN#Cc1cc(NC(=O)c2cc(Cl)c(C(F)(F)F)s2)cn(CC(F)F)c1=O
InChIInChI=1S/C14H7ClF5N3O2S/c15-8-2-9(26-11(8)14(18,19)20)12(24)22-7-1-6(3-21)13(25)23(4-7)5-10(16)17/h1-2,4,10H,5H2,(H,22,24)
InChIKeyBOSVGKCCBRWEAW-UHFFFAOYSA-N
MW411.74 g/mol
LogP3.97
Rot. Bonds4

About 4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide

4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 146323161) has the molecular formula C14H7ClF5N3O2S and a molecular weight of 411.74 g/mol. Its IUPAC name is 4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID146323161
Molecular FormulaC14H7ClF5N3O2S
Molecular Weight411.74 g/mol
Exact Mass410.99
IUPAC Name4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESN#Cc1cc(NC(=O)c2cc(Cl)c(C(F)(F)F)s2)cn(CC(F)F)c1=O
InChIInChI=1S/C14H7ClF5N3O2S/c15-8-2-9(26-11(8)14(18,19)20)12(24)22-7-1-6(3-21)13(25)23(4-7)5-10(16)17/h1-2,4,10H,5H2,(H,22,24)
InChIKeyBOSVGKCCBRWEAW-UHFFFAOYSA-N
XLogP3.97
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.74
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide with MolForge

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Related Compounds

4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309476
4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309466
4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide
CID 146309489
5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide
CID 146323119
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide
CID 146323120
3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323152
4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323160
4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(2-fluoropropan-2-yl)thiophene-2-carboxamide
CID 146323165
4-cyano-5-(1,1-difluoroethyl)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]thiophene-2-carboxamide
CID 146323166
4,5-dichloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide
CID 146323174
3-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323175
4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-2-carboxamide
CID 146323176

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of 4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide (CID 146323161) is 4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide is N#Cc1cc(NC(=O)c2cc(Cl)c(C(F)(F)F)s2)cn(CC(F)F)c1=O.
What is the InChIKey of 4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is BOSVGKCCBRWEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF5N3O2S/c15-8-2-9(26-11(8)14(18,19)20)12(24)22-7-1-6(3-21)13(25)23(4-7)5-10(16)17/h1-2,4,10H,5H2,(H,22,24).
What are the key properties of 4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 411.74 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 146323161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).