5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide

C11H17BrN4O3S — CID 106342458

IUPAC5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)NCCS(=O)(=O)NC
InChIInChI=1S/C11H17BrN4O3S/c1-3-14-10-9(6-8(12)7-16-10)11(17)15-4-5-20(18,19)13-2/h6-7,13H,3-5H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyBYOFZERKCVJWMZ-UHFFFAOYSA-N
MW365.25 g/mol
LogP0.55
Rot. Bonds7

About 5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide

5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide (PubChem CID 106342458) has the molecular formula C11H17BrN4O3S and a molecular weight of 365.25 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
PubChem CID106342458
Molecular FormulaC11H17BrN4O3S
Molecular Weight365.25 g/mol
Exact Mass364.02
IUPAC Name5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)NCCS(=O)(=O)NC
InChIInChI=1S/C11H17BrN4O3S/c1-3-14-10-9(6-8(12)7-16-10)11(17)15-4-5-20(18,19)13-2/h6-7,13H,3-5H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyBYOFZERKCVJWMZ-UHFFFAOYSA-N
XLogP0.55
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-(ethylamino)pyridine-3-carboxamide
CID 83169522
5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 55047276
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
5-bromo-N-(4-methylpentyl)-2-(propylamino)pyridine-3-carboxamide
CID 63499563
5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62166744
methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
CID 130830671
5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62169185
5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 62167609
2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide
CID 106342495
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 105420299
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide (CID 106342458) is 5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide is CCNc1ncc(Br)cc1C(=O)NCCS(=O)(=O)NC.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide?
The InChIKey is BYOFZERKCVJWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O3S/c1-3-14-10-9(6-8(12)7-16-10)11(17)15-4-5-20(18,19)13-2/h6-7,13H,3-5H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide?
5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide has a molecular weight of 365.25 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 106342458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).