5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide

C18H24N4O3S — CID 109180864

IUPAC5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide
SMILESCCCCNc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc1
InChIInChI=1S/C18H24N4O3S/c1-2-3-11-20-15-6-9-17(22-13-15)18(23)21-12-10-14-4-7-16(8-5-14)26(19,24)25/h4-9,13,20H,2-3,10-12H2,1H3,(H,21,23)(H2,19,24,25)
InChIKeyIYADVACYIXQZKN-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.91
Rot. Bonds9

About 5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide

5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109180864) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109180864
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide
SMILESCCCCNc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc1
InChIInChI=1S/C18H24N4O3S/c1-2-3-11-20-15-6-9-17(22-13-15)18(23)21-12-10-14-4-7-16(8-5-14)26(19,24)25/h4-9,13,20H,2-3,10-12H2,1H3,(H,21,23)(H2,19,24,25)
InChIKeyIYADVACYIXQZKN-UHFFFAOYSA-N
XLogP1.91
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.91
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

6-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339858
N-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide
CID 109202515
N-phenyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide
CID 109193610
N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109180664
5-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 104639698
6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 109109114
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109180889
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109186106
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide (CID 109180864) is 5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide is CCCCNc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc1.
What is the InChIKey of 5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is IYADVACYIXQZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-2-3-11-20-15-6-9-17(22-13-15)18(23)21-12-10-14-4-7-16(8-5-14)26(19,24)25/h4-9,13,20H,2-3,10-12H2,1H3,(H,21,23)(H2,19,24,25).
What are the key properties of 5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide?
5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.91, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109180864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).