1-(2-fluoroethyl)-6-methyl-4-oxo-5-thiophen-3-ylpyridine-3-carboxamide

C13H13FN2O2S — CID 175841827

IUPAC1-(2-fluoroethyl)-6-methyl-4-oxo-5-thiophen-3-ylpyridine-3-carboxamide
SMILESCc1c(-c2ccsc2)c(=O)c(C(N)=O)cn1CCF
InChIInChI=1S/C13H13FN2O2S/c1-8-11(9-2-5-19-7-9)12(17)10(13(15)18)6-16(8)4-3-14/h2,5-7H,3-4H2,1H3,(H2,15,18)
InChIKeyCOUMYVVREBILSI-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.95
Rot. Bonds4

About 1-(2-fluoroethyl)-6-methyl-4-oxo-5-thiophen-3-ylpyridine-3-carboxamide

1-(2-fluoroethyl)-6-methyl-4-oxo-5-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 175841827) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-6-methyl-4-oxo-5-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-6-methyl-4-oxo-5-thiophen-3-ylpyridine-3-carboxamide
PubChem CID175841827
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name1-(2-fluoroethyl)-6-methyl-4-oxo-5-thiophen-3-ylpyridine-3-carboxamide
SMILESCc1c(-c2ccsc2)c(=O)c(C(N)=O)cn1CCF
InChIInChI=1S/C13H13FN2O2S/c1-8-11(9-2-5-19-7-9)12(17)10(13(15)18)6-16(8)4-3-14/h2,5-7H,3-4H2,1H3,(H2,15,18)
InChIKeyCOUMYVVREBILSI-UHFFFAOYSA-N
XLogP1.95
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-6-methyl-4-oxo-5-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of 1-(2-fluoroethyl)-6-methyl-4-oxo-5-thiophen-3-ylpyridine-3-carboxamide (CID 175841827) is 1-(2-fluoroethyl)-6-methyl-4-oxo-5-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-(2-fluoroethyl)-6-methyl-4-oxo-5-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for 1-(2-fluoroethyl)-6-methyl-4-oxo-5-thiophen-3-ylpyridine-3-carboxamide is Cc1c(-c2ccsc2)c(=O)c(C(N)=O)cn1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-6-methyl-4-oxo-5-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is COUMYVVREBILSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-8-11(9-2-5-19-7-9)12(17)10(13(15)18)6-16(8)4-3-14/h2,5-7H,3-4H2,1H3,(H2,15,18).
What are the key properties of 1-(2-fluoroethyl)-6-methyl-4-oxo-5-thiophen-3-ylpyridine-3-carboxamide?
1-(2-fluoroethyl)-6-methyl-4-oxo-5-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-6-methyl-4-oxo-5-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 175841827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).