2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide

C19H22N4O7S — CID 19970382

IUPAC2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
SMILESCOCCNC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)c1
InChIInChI=1S/C19H22N4O7S/c1-30-10-8-21-17(25)13-3-2-4-15(11-13)31(28,29)23-18(26)14-5-6-16(22-12-14)19(27)20-7-9-24/h2-6,11-12,24H,7-10H2,1H3,(H,20,27)(H,21,25)(H,23,26)
InChIKeySEBQQKGXLOXADC-UHFFFAOYSA-N
MW450.47 g/mol
LogP-0.70
Rot. Bonds10

About 2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide

2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide (PubChem CID 19970382) has the molecular formula C19H22N4O7S and a molecular weight of 450.47 g/mol. Its IUPAC name is 2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
PubChem CID19970382
Molecular FormulaC19H22N4O7S
Molecular Weight450.47 g/mol
Exact Mass450.12
IUPAC Name2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
SMILESCOCCNC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)c1
InChIInChI=1S/C19H22N4O7S/c1-30-10-8-21-17(25)13-3-2-4-15(11-13)31(28,29)23-18(26)14-5-6-16(22-12-14)19(27)20-7-9-24/h2-6,11-12,24H,7-10H2,1H3,(H,20,27)(H,21,25)(H,23,26)
InChIKeySEBQQKGXLOXADC-UHFFFAOYSA-N
XLogP-0.70
TPSA163.79 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970700
N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
CID 139634727
2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide
CID 19970593
2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970743
propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928023
propyl 5-[[3-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928441
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928224
[5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70212124
5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970615
5-[[3-(benzylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 57079415
[5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70210949

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide (CID 19970382) is 2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide is COCCNC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)c1.
What is the InChIKey of 2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide?
The InChIKey is SEBQQKGXLOXADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O7S/c1-30-10-8-21-17(25)13-3-2-4-15(11-13)31(28,29)23-18(26)14-5-6-16(22-12-14)19(27)20-7-9-24/h2-6,11-12,24H,7-10H2,1H3,(H,20,27)(H,21,25)(H,23,26).
What are the key properties of 2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide?
2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide has a molecular weight of 450.47 g/mol, XLogP of -0.70, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 19970382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).