5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide

C10H15BrN4O3S — CID 55047276

IUPAC5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C10H15BrN4O3S/c1-13-9-8(5-7(11)6-15-9)10(16)14-3-2-4-19(12,17)18/h5-6H,2-4H2,1H3,(H,13,15)(H,14,16)(H2,12,17,18)
InChIKeyNUNGSZOULRZQQR-UHFFFAOYSA-N
MW351.23 g/mol
LogP0.29
Rot. Bonds6

About 5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide

5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide (PubChem CID 55047276) has the molecular formula C10H15BrN4O3S and a molecular weight of 351.23 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
PubChem CID55047276
Molecular FormulaC10H15BrN4O3S
Molecular Weight351.23 g/mol
Exact Mass350.00
IUPAC Name5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C10H15BrN4O3S/c1-13-9-8(5-7(11)6-15-9)10(16)14-3-2-4-19(12,17)18/h5-6H,2-4H2,1H3,(H,13,15)(H,14,16)(H2,12,17,18)
InChIKeyNUNGSZOULRZQQR-UHFFFAOYSA-N
XLogP0.29
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62185046
5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047105
5-bromo-2-hydrazinyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 62242203
5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342458
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 65236814
5-bromo-N-(4-methylpentyl)-2-(propylamino)pyridine-3-carboxamide
CID 63499563
5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62176435
5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62166425
5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113466911
5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide
CID 107818051
5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 63825797
5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 113328075

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide (CID 55047276) is 5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide?
The InChIKey is NUNGSZOULRZQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O3S/c1-13-9-8(5-7(11)6-15-9)10(16)14-3-2-4-19(12,17)18/h5-6H,2-4H2,1H3,(H,13,15)(H,14,16)(H2,12,17,18).
What are the key properties of 5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide?
5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide has a molecular weight of 351.23 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 55047276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).