N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide

C14H13FN2OS — CID 115645997

IUPACN-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide
SMILESCCSc1ccccc1NC(=O)c1ccncc1F
InChIInChI=1S/C14H13FN2OS/c1-2-19-13-6-4-3-5-12(13)17-14(18)10-7-8-16-9-11(10)15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyHQROMQHXXFBQIR-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.59
Rot. Bonds4

About N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide

N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 115645997) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide
PubChem CID115645997
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC NameN-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide
SMILESCCSc1ccccc1NC(=O)c1ccncc1F
InChIInChI=1S/C14H13FN2OS/c1-2-19-13-6-4-3-5-12(13)17-14(18)10-7-8-16-9-11(10)15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyHQROMQHXXFBQIR-UHFFFAOYSA-N
XLogP3.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 64950888
3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide
CID 64951287
3-fluoro-N-(2-propoxyphenyl)pyridine-4-carboxamide
CID 115645463
5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide
CID 47267896
N-(2-ethylsulfanylphenyl)-2-iodobenzamide
CID 47310864
3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054716
2-(ethylamino)-N-(2-ethylsulfanylphenyl)benzamide
CID 63107839
3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 64949324
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
CID 61104682

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide (CID 115645997) is N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide is CCSc1ccccc1NC(=O)c1ccncc1F.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is HQROMQHXXFBQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-2-19-13-6-4-3-5-12(13)17-14(18)10-7-8-16-9-11(10)15/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide?
N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115645997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).