6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide

C11H15ClN2O2S — CID 115673226

IUPAC6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(CCS(C)=O)NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN2O2S/c1-8(5-6-17(2)16)14-11(15)9-3-4-10(12)13-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyFYSVXJNWUJCORV-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.62
Rot. Bonds5

About 6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide

6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 115673226) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide
PubChem CID115673226
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(CCS(C)=O)NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN2O2S/c1-8(5-6-17(2)16)14-11(15)9-3-4-10(12)13-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyFYSVXJNWUJCORV-UHFFFAOYSA-N
XLogP1.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.62
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-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide
CID 115664808
6-chloro-N-[(2R)-5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 38988276
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213
2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 113493444
2-bromo-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 103772020
methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate
CID 51681559
2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 43091866
6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride
CID 88751278
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
3-amino-4-methyl-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113493365
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 113406887

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide (CID 115673226) is 6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide is CC(CCS(C)=O)NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is FYSVXJNWUJCORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-8(5-6-17(2)16)14-11(15)9-3-4-10(12)13-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide?
6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 274.77 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 115673226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).