2-fluoro-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]pyridine-4-carboxamide

C15H15FN2OS — CID 95182415

IUPAC2-fluoro-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]pyridine-4-carboxamide
SMILESCS[C@H](C)c1cccc(NC(=O)c2ccnc(F)c2)c1
InChIInChI=1S/C15H15FN2OS/c1-10(20-2)11-4-3-5-13(8-11)18-15(19)12-6-7-17-14(16)9-12/h3-10H,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyWMCCFTVEPZMUDH-SNVBAGLBSA-N
MW290.36 g/mol
LogP3.90
Rot. Bonds4

About 2-fluoro-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]pyridine-4-carboxamide

2-fluoro-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]pyridine-4-carboxamide (PubChem CID 95182415) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-fluoro-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]pyridine-4-carboxamide
PubChem CID95182415
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name2-fluoro-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]pyridine-4-carboxamide
SMILESCS[C@H](C)c1cccc(NC(=O)c2ccnc(F)c2)c1
InChIInChI=1S/C15H15FN2OS/c1-10(20-2)11-4-3-5-13(8-11)18-15(19)12-6-7-17-14(16)9-12/h3-10H,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyWMCCFTVEPZMUDH-SNVBAGLBSA-N
XLogP3.90
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 ≤ 53.90
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-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61295443
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086154
2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 61293421
methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate
CID 61292895
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 61295120
2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 61295487
N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide
CID 16792077
2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide
CID 96565912
N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294537
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176
2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide
CID 130993762

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]pyridine-4-carboxamide (CID 95182415) is 2-fluoro-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]pyridine-4-carboxamide is CS[C@H](C)c1cccc(NC(=O)c2ccnc(F)c2)c1.
What is the InChIKey of 2-fluoro-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]pyridine-4-carboxamide?
The InChIKey is WMCCFTVEPZMUDH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-10(20-2)11-4-3-5-13(8-11)18-15(19)12-6-7-17-14(16)9-12/h3-10H,1-2H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 2-fluoro-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]pyridine-4-carboxamide?
2-fluoro-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]pyridine-4-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 95182415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).