4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide

C14H14FN3O2S — CID 11404033

IUPAC4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCSc1ccc(Nc2cc(=O)n(C)cc2C(N)=O)c(F)c1
InChIInChI=1S/C14H14FN3O2S/c1-18-7-9(14(16)20)12(6-13(18)19)17-11-4-3-8(21-2)5-10(11)15/h3-7,17H,1-2H3,(H2,16,20)
InChIKeyUVNRELDVCTVFNZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.09
Rot. Bonds4

About 4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide

4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 11404033) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID11404033
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCSc1ccc(Nc2cc(=O)n(C)cc2C(N)=O)c(F)c1
InChIInChI=1S/C14H14FN3O2S/c1-18-7-9(14(16)20)12(6-13(18)19)17-11-4-3-8(21-2)5-10(11)15/h3-7,17H,1-2H3,(H2,16,20)
InChIKeyUVNRELDVCTVFNZ-UHFFFAOYSA-N
XLogP2.09
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide (CID 11404033) is 4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide is CSc1ccc(Nc2cc(=O)n(C)cc2C(N)=O)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is UVNRELDVCTVFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c1-18-7-9(14(16)20)12(6-13(18)19)17-11-4-3-8(21-2)5-10(11)15/h3-7,17H,1-2H3,(H2,16,20).
What are the key properties of 4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide?
4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 11404033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).