N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide

C14H13FN2OS — CID 8866395

IUPACN-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C14H13FN2OS/c1-9-8-10(15)5-6-12(9)17-13(18)11-4-3-7-16-14(11)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyGZQBZLOHSBIOQF-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.50
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide

N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 8866395) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID8866395
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C14H13FN2OS/c1-9-8-10(15)5-6-12(9)17-13(18)11-4-3-7-16-14(11)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyGZQBZLOHSBIOQF-UHFFFAOYSA-N
XLogP3.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 46550282
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 78814142
2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43442788
N-(4-fluoro-2-methylphenyl)-2-iodobenzamide
CID 7924517
N-(4-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7751902
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 3985764
2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 9097781
2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 113255067
2-amino-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384562
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390704

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide (CID 8866395) is N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccc(F)cc1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is GZQBZLOHSBIOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-9-8-10(15)5-6-12(9)17-13(18)11-4-3-7-16-14(11)19-2/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 8866395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).