4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide

C16H10F5N3O2S — CID 146323160

IUPAC4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESN#Cc1cc(C(=O)Nc2cc(F)c(=O)n(CC3(F)CC3)c2)sc1C(F)(F)F
InChIInChI=1S/C16H10F5N3O2S/c17-10-4-9(6-24(14(10)26)7-15(18)1-2-15)23-13(25)11-3-8(5-22)12(27-11)16(19,20)21/h3-4,6H,1-2,7H2,(H,23,25)
InChIKeyCFVCFEDYMYNMJU-UHFFFAOYSA-N
MW403.33 g/mol
LogP3.69
Rot. Bonds4

About 4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide

4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 146323160) has the molecular formula C16H10F5N3O2S and a molecular weight of 403.33 g/mol. Its IUPAC name is 4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID146323160
Molecular FormulaC16H10F5N3O2S
Molecular Weight403.33 g/mol
Exact Mass403.04
IUPAC Name4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESN#Cc1cc(C(=O)Nc2cc(F)c(=O)n(CC3(F)CC3)c2)sc1C(F)(F)F
InChIInChI=1S/C16H10F5N3O2S/c17-10-4-9(6-24(14(10)26)7-15(18)1-2-15)23-13(25)11-3-8(5-22)12(27-11)16(19,20)21/h3-4,6H,1-2,7H2,(H,23,25)
InChIKeyCFVCFEDYMYNMJU-UHFFFAOYSA-N
XLogP3.69
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
3-cyano-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 58458878
5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide
CID 121305344
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
4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323161
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-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-2-carboxamide
CID 146323176
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323179
N-[5-chloro-1-(2,2-difluoroethyl)-6-oxopyridin-3-yl]-4-cyano-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323181
4-cyano-5-cyclopropyl-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]thiophene-2-carboxamide
CID 146323184

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of 4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide (CID 146323160) is 4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide is N#Cc1cc(C(=O)Nc2cc(F)c(=O)n(CC3(F)CC3)c2)sc1C(F)(F)F.
What is the InChIKey of 4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is CFVCFEDYMYNMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5N3O2S/c17-10-4-9(6-24(14(10)26)7-15(18)1-2-15)23-13(25)11-3-8(5-22)12(27-11)16(19,20)21/h3-4,6H,1-2,7H2,(H,23,25).
What are the key properties of 4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 403.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[5-fluoro-1-[(1-fluorocyclopropyl)methyl]-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 146323160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).