6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide

C18H22N4O5S — CID 118335380

IUPAC6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCCCCCNC(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C18H22N4O5S/c19-28(26,27)15-7-4-13(5-8-15)17(24)20-10-2-1-3-11-21-18(25)14-6-9-16(23)22-12-14/h4-9,12H,1-3,10-11H2,(H,20,24)(H,21,25)(H,22,23)(H2,19,26,27)
InChIKeyXHDRDLQBXHGZKX-UHFFFAOYSA-N
MW406.46 g/mol
LogP0.35
Rot. Bonds9

About 6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide

6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide (PubChem CID 118335380) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is 6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide
PubChem CID118335380
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC Name6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCCCCCNC(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C18H22N4O5S/c19-28(26,27)15-7-4-13(5-8-15)17(24)20-10-2-1-3-11-21-18(25)14-6-9-16(23)22-12-14/h4-9,12H,1-3,10-11H2,(H,20,24)(H,21,25)(H,22,23)(H2,19,26,27)
InChIKeyXHDRDLQBXHGZKX-UHFFFAOYSA-N
XLogP0.35
TPSA151.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47189186
methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate
CID 25181352
N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide
CID 106130808
methyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate
CID 165163701
N-(3-oxobutyl)-4-sulfamoylbenzamide
CID 23579196
N-ethyl-4-sulfamoylbenzamide
CID 10242881
N-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide
CID 68610816
6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847
N-methylethanamine;N-propyl-4-sulfamoylbenzamide
CID 68599383
N-[2-[3-[2-[bis[3-oxo-3-[2-[(4-sulfamoylbenzoyl)amino]ethylamino]propyl]amino]ethyl-[3-oxo-3-[2-[(4-sulfamoylbenzoyl)amino]ethylamino]propyl]amino]propanoylamino]ethyl]-4-sulfamoylbenzamide
CID 122194134
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 30541274

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide (CID 118335380) is 6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide is NS(=O)(=O)c1ccc(C(=O)NCCCCCNC(=O)c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of 6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide?
The InChIKey is XHDRDLQBXHGZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c19-28(26,27)15-7-4-13(5-8-15)17(24)20-10-2-1-3-11-21-18(25)14-6-9-16(23)22-12-14/h4-9,12H,1-3,10-11H2,(H,20,24)(H,21,25)(H,22,23)(H2,19,26,27).
What are the key properties of 6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 0.35, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 118335380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).