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

C14H8F5N3O2S — CID 146323188

IUPAC4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide
SMILESN#Cc1cc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)sc1C(F)F
InChIInChI=1S/C14H8F5N3O2S/c15-8-2-7(4-22(14(8)24)5-10(16)17)21-13(23)9-1-6(3-20)11(25-9)12(18)19/h1-2,4,10,12H,5H2,(H,21,23)
InChIKeyGRIFWGKKOXCNMK-UHFFFAOYSA-N
MW377.29 g/mol
LogP3.38
Rot. Bonds5

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

4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide (PubChem CID 146323188) has the molecular formula C14H8F5N3O2S and a molecular weight of 377.29 g/mol. Its IUPAC name is 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide
PubChem CID146323188
Molecular FormulaC14H8F5N3O2S
Molecular Weight377.29 g/mol
Exact Mass377.03
IUPAC Name4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide
SMILESN#Cc1cc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)sc1C(F)F
InChIInChI=1S/C14H8F5N3O2S/c15-8-2-7(4-22(14(8)24)5-10(16)17)21-13(23)9-1-6(3-20)11(25-9)12(18)19/h1-2,4,10,12H,5H2,(H,21,23)
InChIKeyGRIFWGKKOXCNMK-UHFFFAOYSA-N
XLogP3.38
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide?
The IUPAC name of 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide (CID 146323188) is 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide is N#Cc1cc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)sc1C(F)F.
What is the InChIKey of 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide?
The InChIKey is GRIFWGKKOXCNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N3O2S/c15-8-2-7(4-22(14(8)24)5-10(16)17)21-13(23)9-1-6(3-20)11(25-9)12(18)19/h1-2,4,10,12H,5H2,(H,21,23).
What are the key properties of 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide?
4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 3.38, 5 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-(difluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 146323188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).