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

C13H8F6N2O2S — CID 146323120

IUPACN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc(F)c(C(F)F)s1
InChIInChI=1S/C13H8F6N2O2S/c14-6-2-8(24-10(6)11(18)19)12(22)20-5-1-7(15)13(23)21(3-5)4-9(16)17/h1-3,9,11H,4H2,(H,20,22)
InChIKeyZZPAEADPEAYGIA-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.64
Rot. Bonds5

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

N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide (PubChem CID 146323120) has the molecular formula C13H8F6N2O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide
PubChem CID146323120
Molecular FormulaC13H8F6N2O2S
Molecular Weight370.27 g/mol
Exact Mass370.02
IUPAC NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc(F)c(C(F)F)s1
InChIInChI=1S/C13H8F6N2O2S/c14-6-2-8(24-10(6)11(18)19)12(22)20-5-1-7(15)13(23)21(3-5)4-9(16)17/h1-3,9,11H,4H2,(H,20,22)
InChIKeyZZPAEADPEAYGIA-UHFFFAOYSA-N
XLogP3.64
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023795
4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309476
5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 45840376
N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
CID 115491575
N-ethyl-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 53560979
N-[(5-acetylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 20449092
N-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 67327050
N-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 69184925
N-(6-chloro-1,2-dihydropyridin-3-yl)-4,5-difluorothiophene-2-carboxamide
CID 71146342
N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 87353265
3-fluoro-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 117916736
3-fluoro-5-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 117916749

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide (CID 146323120) is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide is O=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc(F)c(C(F)F)s1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide?
The InChIKey is ZZPAEADPEAYGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6N2O2S/c14-6-2-8(24-10(6)11(18)19)12(22)20-5-1-7(15)13(23)21(3-5)4-9(16)17/h1-3,9,11H,4H2,(H,20,22).
What are the key properties of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide?
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide has a molecular weight of 370.27 g/mol, XLogP of 3.64, 5 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]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide is sourced from PubChem (CID 146323120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).