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

C14H10F3N3O2S — CID 146323176

IUPAC4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)cc1C#N
InChIInChI=1S/C14H10F3N3O2S/c1-7-8(4-18)2-11(23-7)13(21)19-9-3-10(15)14(22)20(5-9)6-12(16)17/h2-3,5,12H,6H2,1H3,(H,19,21)
InChIKeyQNEUEYLYVLXQAZ-UHFFFAOYSA-N
MW341.31 g/mol
LogP2.75
Rot. Bonds4

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

4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-2-carboxamide (PubChem CID 146323176) has the molecular formula C14H10F3N3O2S and a molecular weight of 341.31 g/mol. Its IUPAC name is 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-2-carboxamide
PubChem CID146323176
Molecular FormulaC14H10F3N3O2S
Molecular Weight341.31 g/mol
Exact Mass341.04
IUPAC Name4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)cc1C#N
InChIInChI=1S/C14H10F3N3O2S/c1-7-8(4-18)2-11(23-7)13(21)19-9-3-10(15)14(22)20(5-9)6-12(16)17/h2-3,5,12H,6H2,1H3,(H,19,21)
InChIKeyQNEUEYLYVLXQAZ-UHFFFAOYSA-N
XLogP2.75
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-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
N-(1-acetylpiperidin-4-yl)-4,5-dimethylthiophene-2-carboxamide
CID 45795972
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-cyanothiophene-2-carboxamide
CID 71860157
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
3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide
CID 58458782
5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 58458793
3,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 58458816
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
5-Formyl-3-methyl-thiophene-2-carboxylic acid (2,2,2-trifluoro-ethyl)-amide
CID 86658035

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-2-carboxamide (CID 146323176) is 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)cc1C#N.
What is the InChIKey of 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-2-carboxamide?
The InChIKey is QNEUEYLYVLXQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S/c1-7-8(4-18)2-11(23-7)13(21)19-9-3-10(15)14(22)20(5-9)6-12(16)17/h2-3,5,12H,6H2,1H3,(H,19,21).
What are the key properties of 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-2-carboxamide?
4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-2-carboxamide has a molecular weight of 341.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 146323176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).