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

C14H13F2N3O3S — CID 167635426

IUPAC2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-N-methylthiophene-2,5-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1
InChIInChI=1S/C14H13F2N3O3S/c1-17-12(20)10-2-3-11(23-10)13(21)18-8-6-9(16)14(22)19(7-8)5-4-15/h2-3,6-7H,4-5H2,1H3,(H,17,20)(H,18,21)
InChIKeyOKGWHKTYYPGJQK-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.63
Rot. Bonds5

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

2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-N-methylthiophene-2,5-dicarboxamide (PubChem CID 167635426) has the molecular formula C14H13F2N3O3S and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-N-methylthiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-N-methylthiophene-2,5-dicarboxamide
PubChem CID167635426
Molecular FormulaC14H13F2N3O3S
Molecular Weight341.34 g/mol
Exact Mass341.06
IUPAC Name2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-N-methylthiophene-2,5-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1
InChIInChI=1S/C14H13F2N3O3S/c1-17-12(20)10-2-3-11(23-10)13(21)18-8-6-9(16)14(22)19(7-8)5-4-15/h2-3,6-7H,4-5H2,1H3,(H,17,20)(H,18,21)
InChIKeyOKGWHKTYYPGJQK-UHFFFAOYSA-N
XLogP1.63
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-N-methylthiophene-2,5-dicarboxamide?
The IUPAC name of 2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-N-methylthiophene-2,5-dicarboxamide (CID 167635426) is 2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-N-methylthiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-N-methylthiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-N-methylthiophene-2,5-dicarboxamide is CNC(=O)c1ccc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1.
What is the InChIKey of 2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-N-methylthiophene-2,5-dicarboxamide?
The InChIKey is OKGWHKTYYPGJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O3S/c1-17-12(20)10-2-3-11(23-10)13(21)18-8-6-9(16)14(22)19(7-8)5-4-15/h2-3,6-7H,4-5H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-N-methylthiophene-2,5-dicarboxamide?
2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-N-methylthiophene-2,5-dicarboxamide has a molecular weight of 341.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-N-methylthiophene-2,5-dicarboxamide is sourced from PubChem (CID 167635426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).