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

C14H10F6N2O2S — CID 146323179

IUPACN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)sc1C(F)(F)F
InChIInChI=1S/C14H10F6N2O2S/c1-6-2-9(25-11(6)14(18,19)20)12(23)21-7-3-8(15)13(24)22(4-7)5-10(16)17/h2-4,10H,5H2,1H3,(H,21,23)
InChIKeyLVAICQCEIIILOT-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.89
Rot. Bonds4

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

N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 146323179) has the molecular formula C14H10F6N2O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID146323179
Molecular FormulaC14H10F6N2O2S
Molecular Weight384.30 g/mol
Exact Mass384.04
IUPAC NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)sc1C(F)(F)F
InChIInChI=1S/C14H10F6N2O2S/c1-6-2-9(25-11(6)14(18,19)20)12(23)21-7-3-8(15)13(24)22(4-7)5-10(16)17/h2-4,10H,5H2,1H3,(H,21,23)
InChIKeyLVAICQCEIIILOT-UHFFFAOYSA-N
XLogP3.89
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3c
CID 25023797
Thiophene derivative, 3e
CID 25023798
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 44563197
4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}-N-(2-thienylmethyl)benzenecarboxamide
CID 1486044
2-ethyl-4H,5H-thieno[3,2-c]pyridin-4-one
CID 69589066
4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309476
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide
CID 71856501
N-(1-acetylpiperidin-4-yl)-4,5-dimethylthiophene-2-carboxamide
CID 45795972
2-{2-Methyl-4-oxo-4H,5H-thieno[3,2-C]pyridin-5-YL}-N-(propan-2-YL)acetamide
CID 46395981

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide (CID 146323179) is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide is Cc1cc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)sc1C(F)(F)F.
What is the InChIKey of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is LVAICQCEIIILOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N2O2S/c1-6-2-9(25-11(6)14(18,19)20)12(23)21-7-3-8(15)13(24)22(4-7)5-10(16)17/h2-4,10H,5H2,1H3,(H,21,23).
What are the key properties of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide?
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 384.30 g/mol, XLogP of 3.89, 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-methyl-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 146323179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).