2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide

C11H16ClN3O3S — CID 114175102

IUPAC2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCCS(=O)(=O)NC)cc(Cl)n1
InChIInChI=1S/C11H16ClN3O3S/c1-3-9-6-8(7-10(12)15-9)11(16)14-4-5-19(17,18)13-2/h6-7,13H,3-5H2,1-2H3,(H,14,16)
InChIKeyXIYQIOLGVRMBAH-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.58
Rot. Bonds6

About 2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide

2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide (PubChem CID 114175102) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide
PubChem CID114175102
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCCS(=O)(=O)NC)cc(Cl)n1
InChIInChI=1S/C11H16ClN3O3S/c1-3-9-6-8(7-10(12)15-9)11(16)14-4-5-19(17,18)13-2/h6-7,13H,3-5H2,1-2H3,(H,14,16)
InChIKeyXIYQIOLGVRMBAH-UHFFFAOYSA-N
XLogP0.58
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106235383
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide
CID 106336199
2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 114331667
2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
CID 113477234
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106276058
2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 113379883
3,5-dimethoxy-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 7619022
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2-chloro-6-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114113553
2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 114174171
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethylpyridine-4-carboxamide
CID 107573376
2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 113450078

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide (CID 114175102) is 2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide is CCc1cc(C(=O)NCCS(=O)(=O)NC)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide?
The InChIKey is XIYQIOLGVRMBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-3-9-6-8(7-10(12)15-9)11(16)14-4-5-19(17,18)13-2/h6-7,13H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide?
2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide has a molecular weight of 305.79 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114175102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).