N-(3-sulfamoylpropyl)pyridine-4-carboxamide

C9H13N3O3S — CID 47337075

IUPACN-(3-sulfamoylpropyl)pyridine-4-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)c1ccncc1
InChIInChI=1S/C9H13N3O3S/c10-16(14,15)7-1-4-12-9(13)8-2-5-11-6-3-8/h2-3,5-6H,1,4,7H2,(H,12,13)(H2,10,14,15)
InChIKeyVCEJLMZMWJFNRI-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.51
Rot. Bonds5

About N-(3-sulfamoylpropyl)pyridine-4-carboxamide

N-(3-sulfamoylpropyl)pyridine-4-carboxamide (PubChem CID 47337075) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)pyridine-4-carboxamide
PubChem CID47337075
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC NameN-(3-sulfamoylpropyl)pyridine-4-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)c1ccncc1
InChIInChI=1S/C9H13N3O3S/c10-16(14,15)7-1-4-12-9(13)8-2-5-11-6-3-8/h2-3,5-6H,1,4,7H2,(H,12,13)(H2,10,14,15)
InChIKeyVCEJLMZMWJFNRI-UHFFFAOYSA-N
XLogP-0.51
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-sulfamoylpropyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 113385015
4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide
CID 112733928
N-butylpyridine-4-carboxamide
CID 5030535
4-(propylamino)-N-(3-sulfamoylpropyl)benzamide
CID 62180515
N-pentylpyridine-4-carboxamide
CID 2307296
3-(pyridine-4-carbonylamino)propyl hydrogen carbonate
CID 130453907
N-(4-aminooxybutyl)pyridine-4-carboxamide
CID 139932357
3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide
CID 61132238
5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 61150263
N-hexylpyridine-4-carboxamide
CID 3423732
N-(2-sulfamoylethyl)pyridazine-4-carboxamide
CID 115769360
4-hydroxy-N-(2-sulfamoylethyl)benzamide
CID 43552549

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylpropyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-sulfamoylpropyl)pyridine-4-carboxamide (CID 47337075) is N-(3-sulfamoylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-sulfamoylpropyl)pyridine-4-carboxamide is NS(=O)(=O)CCCNC(=O)c1ccncc1.
What is the InChIKey of N-(3-sulfamoylpropyl)pyridine-4-carboxamide?
The InChIKey is VCEJLMZMWJFNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c10-16(14,15)7-1-4-12-9(13)8-2-5-11-6-3-8/h2-3,5-6H,1,4,7H2,(H,12,13)(H2,10,14,15).
What are the key properties of N-(3-sulfamoylpropyl)pyridine-4-carboxamide?
N-(3-sulfamoylpropyl)pyridine-4-carboxamide has a molecular weight of 243.29 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 47337075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).