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

C17H22N4O4S — CID 109166763

IUPACN-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H22N4O4S/c1-25-11-10-21-17(22)14-7-9-20-16(12-14)19-8-6-13-2-4-15(5-3-13)26(18,23)24/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,19,20)(H,21,22)(H2,18,23,24)
InChIKeyPFGWFXMREHDIJR-UHFFFAOYSA-N
MW378.45 g/mol
LogP0.76
Rot. Bonds9

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

N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide (PubChem CID 109166763) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide
PubChem CID109166763
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H22N4O4S/c1-25-11-10-21-17(22)14-7-9-20-16(12-14)19-8-6-13-2-4-15(5-3-13)26(18,23)24/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,19,20)(H,21,22)(H2,18,23,24)
InChIKeyPFGWFXMREHDIJR-UHFFFAOYSA-N
XLogP0.76
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 109167185
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84580650
N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109227677
6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109364662
2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109173026
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165043
2-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165659
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169909
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
1-N'-(2-methoxyethyl)-1-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108972706
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165735

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide (CID 109166763) is N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide is COCCNC(=O)c1ccnc(NCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide?
The InChIKey is PFGWFXMREHDIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-25-11-10-21-17(22)14-7-9-20-16(12-14)19-8-6-13-2-4-15(5-3-13)26(18,23)24/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,19,20)(H,21,22)(H2,18,23,24).
What are the key properties of N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide?
N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 0.76, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109166763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).