N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide

C17H22N4O4S — CID 109227677

IUPACN-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H22N4O4S/c1-25-9-8-21-17(22)14-10-15(12-19-11-14)20-7-6-13-2-4-16(5-3-13)26(18,23)24/h2-5,10-12,20H,6-9H2,1H3,(H,21,22)(H2,18,23,24)
InChIKeyJLTSSYUYNZRCGF-UHFFFAOYSA-N
MW378.45 g/mol
LogP0.76
Rot. Bonds9

About N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide

N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide (PubChem CID 109227677) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
PubChem CID109227677
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H22N4O4S/c1-25-9-8-21-17(22)14-10-15(12-19-11-14)20-7-6-13-2-4-16(5-3-13)26(18,23)24/h2-5,10-12,20H,6-9H2,1H3,(H,21,22)(H2,18,23,24)
InChIKeyJLTSSYUYNZRCGF-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

5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227666
5-[2-(4-chlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227679
N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109227669
N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109237741
N-cyclopropyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109223606
N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide
CID 109166763
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228217
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109227649
4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 109226302
N-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224153
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide (CID 109227677) is N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide is COCCNC(=O)c1cncc(NCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is JLTSSYUYNZRCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-25-9-8-21-17(22)14-10-15(12-19-11-14)20-7-6-13-2-4-16(5-3-13)26(18,23)24/h2-5,10-12,20H,6-9H2,1H3,(H,21,22)(H2,18,23,24).
What are the key properties of N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide?
N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-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)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109227677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).