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

C12H7F5N2O2S — CID 146323259

IUPACN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4,5-difluorothiophene-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc(F)c(F)s1
InChIInChI=1S/C12H7F5N2O2S/c13-6-2-8(22-10(6)17)11(20)18-5-1-7(14)12(21)19(3-5)4-9(15)16/h1-3,9H,4H2,(H,18,20)
InChIKeyTUKHRALFWRJNCZ-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.84
Rot. Bonds4

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

N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4,5-difluorothiophene-2-carboxamide (PubChem CID 146323259) has the molecular formula C12H7F5N2O2S and a molecular weight of 338.26 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4,5-difluorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4,5-difluorothiophene-2-carboxamide
PubChem CID146323259
Molecular FormulaC12H7F5N2O2S
Molecular Weight338.26 g/mol
Exact Mass338.01
IUPAC NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4,5-difluorothiophene-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc(F)c(F)s1
InChIInChI=1S/C12H7F5N2O2S/c13-6-2-8(22-10(6)17)11(20)18-5-1-7(14)12(21)19(3-5)4-9(15)16/h1-3,9H,4H2,(H,18,20)
InChIKeyTUKHRALFWRJNCZ-UHFFFAOYSA-N
XLogP2.84
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4,5-difluorothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309476
1-(Thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one
CID 2320794
N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 21962675
N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
CID 115491575
N-(6-chloro-1,2-dihydropyridin-3-yl)-4,5-difluorothiophene-2-carboxamide
CID 71146342
N-(2,2-difluoroethyl)thiophene-2-carboxamide
CID 79079577
N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide
CID 140133874
N-(2,6-difluorocyclohexa-1,5-dien-1-yl)-5-fluorothiophene-2-carboxamide
CID 144338888
4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309466
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4,5-difluorothiophene-2-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4,5-difluorothiophene-2-carboxamide (CID 146323259) is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4,5-difluorothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4,5-difluorothiophene-2-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4,5-difluorothiophene-2-carboxamide is O=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc(F)c(F)s1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4,5-difluorothiophene-2-carboxamide?
The InChIKey is TUKHRALFWRJNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F5N2O2S/c13-6-2-8(22-10(6)17)11(20)18-5-1-7(14)12(21)19(3-5)4-9(15)16/h1-3,9H,4H2,(H,18,20).
What are the key properties of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4,5-difluorothiophene-2-carboxamide?
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4,5-difluorothiophene-2-carboxamide has a molecular weight of 338.26 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4,5-difluorothiophene-2-carboxamide is sourced from PubChem (CID 146323259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).