2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide

C13H20ClN3O3S — CID 106336199

IUPAC2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCCS(=O)(=O)N(C)C)cc(Cl)n1
InChIInChI=1S/C13H20ClN3O3S/c1-4-5-11-8-10(9-12(14)16-11)13(18)15-6-7-21(19,20)17(2)3/h8-9H,4-7H2,1-3H3,(H,15,18)
InChIKeyCHVSSTNGJDMHLI-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.31
Rot. Bonds7

About 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide

2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide (PubChem CID 106336199) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide
PubChem CID106336199
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCCS(=O)(=O)N(C)C)cc(Cl)n1
InChIInChI=1S/C13H20ClN3O3S/c1-4-5-11-8-10(9-12(14)16-11)13(18)15-6-7-21(19,20)17(2)3/h8-9H,4-7H2,1-3H3,(H,15,18)
InChIKeyCHVSSTNGJDMHLI-UHFFFAOYSA-N
XLogP1.31
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
CID 113379751
2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 113450078
2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide
CID 114175102
2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
CID 113379911
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide
CID 103005653
6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 114175120
2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
CID 113379658
2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide
CID 113379836
2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113379796
2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide
CID 106415797

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide (CID 106336199) is 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NCCS(=O)(=O)N(C)C)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide?
The InChIKey is CHVSSTNGJDMHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-4-5-11-8-10(9-12(14)16-11)13(18)15-6-7-21(19,20)17(2)3/h8-9H,4-7H2,1-3H3,(H,15,18).
What are the key properties of 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide?
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide has a molecular weight of 333.84 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 106336199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).