2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide

C15H15FN2OS — CID 61295487

IUPAC2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
SMILESCSc1ccc(C(C)NC(=O)c2ccnc(F)c2)cc1
InChIInChI=1S/C15H15FN2OS/c1-10(11-3-5-13(20-2)6-4-11)18-15(19)12-7-8-17-14(16)9-12/h3-10H,1-2H3,(H,18,19)
InChIKeyYWIOIFUVGFEABG-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.43
Rot. Bonds4

About 2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide

2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 61295487) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID61295487
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
SMILESCSc1ccc(C(C)NC(=O)c2ccnc(F)c2)cc1
InChIInChI=1S/C15H15FN2OS/c1-10(11-3-5-13(20-2)6-4-11)18-15(19)12-7-8-17-14(16)9-12/h3-10H,1-2H3,(H,18,19)
InChIKeyYWIOIFUVGFEABG-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide
CID 61293078
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
3,5-dibromo-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 107980230
2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide
CID 130993762
3-bromo-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 81458325
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 61499841
2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 115631310
3-cyano-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 42959635
4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558297
4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558127

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide (CID 61295487) is 2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide is CSc1ccc(C(C)NC(=O)c2ccnc(F)c2)cc1.
What is the InChIKey of 2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is YWIOIFUVGFEABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-10(11-3-5-13(20-2)6-4-11)18-15(19)12-7-8-17-14(16)9-12/h3-10H,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide?
2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 61295487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).