3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide

C9H11FN2O2S — CID 115646483

IUPAC3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
SMILESCS(=O)CCNC(=O)c1ccncc1F
InChIInChI=1S/C9H11FN2O2S/c1-15(14)5-4-12-9(13)7-2-3-11-6-8(7)10/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyVORJHNMRNRLNNK-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.33
Rot. Bonds4

About 3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide

3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide (PubChem CID 115646483) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
PubChem CID115646483
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC Name3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
SMILESCS(=O)CCNC(=O)c1ccncc1F
InChIInChI=1S/C9H11FN2O2S/c1-15(14)5-4-12-9(13)7-2-3-11-6-8(7)10/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyVORJHNMRNRLNNK-UHFFFAOYSA-N
XLogP0.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide
CID 115646493
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
CID 64951481
3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
CID 107317148
3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 115646395
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
N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
CID 115646224
N-[2-[ethyl(propyl)amino]ethyl]-3-fluoropyridine-4-carboxamide
CID 113247671
N-[(E)-4-chlorobut-2-enyl]-3-fluoropyridine-4-carboxamide
CID 81429360
3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645467

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide (CID 115646483) is 3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide is CS(=O)CCNC(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide?
The InChIKey is VORJHNMRNRLNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c1-15(14)5-4-12-9(13)7-2-3-11-6-8(7)10/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide?
3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide has a molecular weight of 230.26 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115646483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).