5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide

C15H15F2N3O3S — CID 167539891

IUPAC5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide
SMILESCN(C)C(=O)c1ccc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1
InChIInChI=1S/C15H15F2N3O3S/c1-19(2)15(23)12-4-3-11(24-12)13(21)18-9-7-10(17)14(22)20(8-9)6-5-16/h3-4,7-8H,5-6H2,1-2H3,(H,18,21)
InChIKeyBASTUAMEESZEDL-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.97
Rot. Bonds5

About 5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide

5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide (PubChem CID 167539891) has the molecular formula C15H15F2N3O3S and a molecular weight of 355.37 g/mol. Its IUPAC name is 5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide
PubChem CID167539891
Molecular FormulaC15H15F2N3O3S
Molecular Weight355.37 g/mol
Exact Mass355.08
IUPAC Name5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide
SMILESCN(C)C(=O)c1ccc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1
InChIInChI=1S/C15H15F2N3O3S/c1-19(2)15(23)12-4-3-11(24-12)13(21)18-9-7-10(17)14(22)20(8-9)6-5-16/h3-4,7-8H,5-6H2,1-2H3,(H,18,21)
InChIKeyBASTUAMEESZEDL-UHFFFAOYSA-N
XLogP1.97
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide?
The IUPAC name of 5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide (CID 167539891) is 5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide?
The canonical SMILES for 5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide is CN(C)C(=O)c1ccc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1.
What is the InChIKey of 5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide?
The InChIKey is BASTUAMEESZEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O3S/c1-19(2)15(23)12-4-3-11(24-12)13(21)18-9-7-10(17)14(22)20(8-9)6-5-16/h3-4,7-8H,5-6H2,1-2H3,(H,18,21).
What are the key properties of 5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide?
5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide has a molecular weight of 355.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide is sourced from PubChem (CID 167539891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).