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

C16H13F4N3O2S — CID 146323165

IUPAC4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(2-fluoropropan-2-yl)thiophene-2-carboxamide
SMILESCC(C)(F)c1sc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)cc1C#N
InChIInChI=1S/C16H13F4N3O2S/c1-16(2,20)13-8(5-21)3-11(26-13)14(24)22-9-4-10(17)15(25)23(6-9)7-12(18)19/h3-4,6,12H,7H2,1-2H3,(H,22,24)
InChIKeyCIJMWVJYORMNDI-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.64
Rot. Bonds5

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

4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(2-fluoropropan-2-yl)thiophene-2-carboxamide (PubChem CID 146323165) has the molecular formula C16H13F4N3O2S and a molecular weight of 387.36 g/mol. Its IUPAC name is 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(2-fluoropropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(2-fluoropropan-2-yl)thiophene-2-carboxamide
PubChem CID146323165
Molecular FormulaC16H13F4N3O2S
Molecular Weight387.36 g/mol
Exact Mass387.07
IUPAC Name4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(2-fluoropropan-2-yl)thiophene-2-carboxamide
SMILESCC(C)(F)c1sc(C(=O)Nc2cc(F)c(=O)n(CC(F)F)c2)cc1C#N
InChIInChI=1S/C16H13F4N3O2S/c1-16(2,20)13-8(5-21)3-11(26-13)14(24)22-9-4-10(17)15(25)23(6-9)7-12(18)19/h3-4,6,12H,7H2,1-2H3,(H,22,24)
InChIKeyCIJMWVJYORMNDI-UHFFFAOYSA-N
XLogP3.64
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(2-cyanoethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082835
N-(2-cyanoethyl)-5-(3,4-difluorophenyl)thiophene-2-carboxamide
CID 132462773
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
3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 90132561
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide
CID 121305229
5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide
CID 121305344
5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 121315282
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide
CID 121315327
2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-5H-thieno[3,2-c]pyridin-4-one
CID 137361108

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(2-fluoropropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(2-fluoropropan-2-yl)thiophene-2-carboxamide (CID 146323165) is 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(2-fluoropropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(2-fluoropropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(2-fluoropropan-2-yl)thiophene-2-carboxamide is CC(C)(F)c1sc(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-(2-fluoropropan-2-yl)thiophene-2-carboxamide?
The InChIKey is CIJMWVJYORMNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N3O2S/c1-16(2,20)13-8(5-21)3-11(26-13)14(24)22-9-4-10(17)15(25)23(6-9)7-12(18)19/h3-4,6,12H,7H2,1-2H3,(H,22,24).
What are the key properties of 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(2-fluoropropan-2-yl)thiophene-2-carboxamide?
4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(2-fluoropropan-2-yl)thiophene-2-carboxamide has a molecular weight of 387.36 g/mol, XLogP of 3.64, 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-(2-fluoropropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 146323165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).