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

C15H10F5N3O2S — CID 146323166

IUPAC4-cyano-5-(1,1-difluoroethyl)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide
SMILESCC(F)(F)c1sc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)cc1C#N
InChIInChI=1S/C15H10F5N3O2S/c1-15(19,20)12-7(4-21)2-10(26-12)13(24)22-8-3-9(16)14(25)23(5-8)6-11(17)18/h2-3,5,11H,6H2,1H3,(H,22,24)
InChIKeyFYOIKQUHRGJOIS-UHFFFAOYSA-N
MW391.32 g/mol
LogP3.55
Rot. Bonds5

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

4-cyano-5-(1,1-difluoroethyl)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 146323166) has the molecular formula C15H10F5N3O2S and a molecular weight of 391.32 g/mol. Its IUPAC name is 4-cyano-5-(1,1-difluoroethyl)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-5-(1,1-difluoroethyl)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide
PubChem CID146323166
Molecular FormulaC15H10F5N3O2S
Molecular Weight391.32 g/mol
Exact Mass391.04
IUPAC Name4-cyano-5-(1,1-difluoroethyl)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide
SMILESCC(F)(F)c1sc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)cc1C#N
InChIInChI=1S/C15H10F5N3O2S/c1-15(19,20)12-7(4-21)2-10(26-12)13(24)22-8-3-9(16)14(25)23(5-8)6-11(17)18/h2-3,5,11H,6H2,1H3,(H,22,24)
InChIKeyFYOIKQUHRGJOIS-UHFFFAOYSA-N
XLogP3.55
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 53.55
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
N-(2-cyanoethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082835
4-cyano-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 49717021
4,5-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 72112646
2,5-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]thiophene-3-carboxamide
CID 72124526
N-(2-cyanoethyl)-5-(3,4-difluorophenyl)thiophene-2-carboxamide
CID 132462773
5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 58458793
3-cyano-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 58458878
5-(5-Ethyl-2-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-thiophene-2-carboxylic acid 4-trifluoromethyl-benzylamide
CID 58808551
N-[(3,5-difluorophenyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide
CID 58808563
3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 90132561
4-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide
CID 118432899

Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-(1,1-difluoroethyl)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of 4-cyano-5-(1,1-difluoroethyl)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide (CID 146323166) is 4-cyano-5-(1,1-difluoroethyl)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-5-(1,1-difluoroethyl)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for 4-cyano-5-(1,1-difluoroethyl)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide is CC(F)(F)c1sc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)cc1C#N.
What is the InChIKey of 4-cyano-5-(1,1-difluoroethyl)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is FYOIKQUHRGJOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N3O2S/c1-15(19,20)12-7(4-21)2-10(26-12)13(24)22-8-3-9(16)14(25)23(5-8)6-11(17)18/h2-3,5,11H,6H2,1H3,(H,22,24).
What are the key properties of 4-cyano-5-(1,1-difluoroethyl)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide?
4-cyano-5-(1,1-difluoroethyl)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 391.32 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-(1,1-difluoroethyl)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 146323166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).