2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide

C11H15FN2OS — CID 115635789

IUPAC2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
SMILESCSCCCCNC(=O)c1ccnc(F)c1
InChIInChI=1S/C11H15FN2OS/c1-16-7-3-2-5-14-11(15)9-4-6-13-10(12)8-9/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)
InChIKeySLPZSMUOFPGQOK-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.09
Rot. Bonds6

About 2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide

2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide (PubChem CID 115635789) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
PubChem CID115635789
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
SMILESCSCCCCNC(=O)c1ccnc(F)c1
InChIInChI=1S/C11H15FN2OS/c1-16-7-3-2-5-14-11(15)9-4-6-13-10(12)8-9/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)
InChIKeySLPZSMUOFPGQOK-UHFFFAOYSA-N
XLogP2.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 63962518
2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide
CID 61293855
N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide
CID 61292678
4-fluoro-3-methyl-N-(4-methylsulfanylbutyl)benzamide
CID 115635798
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide
CID 113412198
N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 58451869
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
3,4-dihydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 103957170
3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 105387455
N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide
CID 61292893
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide (CID 115635789) is 2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide is CSCCCCNC(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide?
The InChIKey is SLPZSMUOFPGQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c1-16-7-3-2-5-14-11(15)9-4-6-13-10(12)8-9/h4,6,8H,2-3,5,7H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide?
2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 115635789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).