3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide

C10H13FN2O2S — CID 115646493

IUPAC3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide
SMILESCS(=O)CCCNC(=O)c1ccncc1F
InChIInChI=1S/C10H13FN2O2S/c1-16(15)6-2-4-13-10(14)8-3-5-12-7-9(8)11/h3,5,7H,2,4,6H2,1H3,(H,13,14)
InChIKeyHSLPGDKIZWWYKK-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.72
Rot. Bonds5

About 3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide

3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide (PubChem CID 115646493) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide
PubChem CID115646493
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide
SMILESCS(=O)CCCNC(=O)c1ccncc1F
InChIInChI=1S/C10H13FN2O2S/c1-16(15)6-2-4-13-10(14)8-3-5-12-7-9(8)11/h3,5,7H,2,4,6H2,1H3,(H,13,14)
InChIKeyHSLPGDKIZWWYKK-UHFFFAOYSA-N
XLogP0.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 115646483
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
CID 107317148
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
2-bromo-6-fluoro-N-(3-methylsulfinylpropyl)benzamide
CID 115679027
3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
CID 64951481
3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 115646395
3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645467
N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide
CID 77054826
3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
CID 115646100
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 115646316

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide (CID 115646493) is 3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide is CS(=O)CCCNC(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide?
The InChIKey is HSLPGDKIZWWYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-16(15)6-2-4-13-10(14)8-3-5-12-7-9(8)11/h3,5,7H,2,4,6H2,1H3,(H,13,14).
What are the key properties of 3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide?
3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 115646493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).