N-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide

C18H24N4O3S — CID 109202515

IUPACN-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide
SMILESCCCCNC(=O)c1cc(NCCc2ccc(S(N)(=O)=O)cc2)ccn1
InChIInChI=1S/C18H24N4O3S/c1-2-3-10-22-18(23)17-13-15(9-12-21-17)20-11-8-14-4-6-16(7-5-14)26(19,24)25/h4-7,9,12-13H,2-3,8,10-11H2,1H3,(H,20,21)(H,22,23)(H2,19,24,25)
InChIKeyYVHAZECIDNDZPH-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.91
Rot. Bonds9

About N-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide

N-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109202515) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109202515
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide
SMILESCCCCNC(=O)c1cc(NCCc2ccc(S(N)(=O)=O)cc2)ccn1
InChIInChI=1S/C18H24N4O3S/c1-2-3-10-22-18(23)17-13-15(9-12-21-17)20-11-8-14-4-6-16(7-5-14)26(19,24)25/h4-7,9,12-13H,2-3,8,10-11H2,1H3,(H,20,21)(H,22,23)(H2,19,24,25)
InChIKeyYVHAZECIDNDZPH-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

N-cyclopropyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide
CID 109201734
5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide
CID 109180864
6-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339858
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
4-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109214186
N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109202505
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202346
4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214110
N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213415
N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206237

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide (CID 109202515) is N-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide is CCCCNC(=O)c1cc(NCCc2ccc(S(N)(=O)=O)cc2)ccn1.
What is the InChIKey of N-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is YVHAZECIDNDZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-2-3-10-22-18(23)17-13-15(9-12-21-17)20-11-8-14-4-6-16(7-5-14)26(19,24)25/h4-7,9,12-13H,2-3,8,10-11H2,1H3,(H,20,21)(H,22,23)(H2,19,24,25).
What are the key properties of N-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide?
N-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]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 N-butyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109202515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).