4-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxylic acid

C15H23N3O6S — CID 18420242

IUPAC4-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxylic acid
SMILESCCN1CCN(S(=O)(=O)c2ccnc(OCCOC)c2C(=O)O)CC1
InChIInChI=1S/C15H23N3O6S/c1-3-17-6-8-18(9-7-17)25(21,22)12-4-5-16-14(13(12)15(19)20)24-11-10-23-2/h4-5H,3,6-11H2,1-2H3,(H,19,20)
InChIKeySJYFCNZCSWHCAG-UHFFFAOYSA-N
MW373.43 g/mol
LogP0.13
Rot. Bonds8

About 4-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxylic acid

4-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxylic acid (PubChem CID 18420242) has the molecular formula C15H23N3O6S and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxylic acid
PubChem CID18420242
Molecular FormulaC15H23N3O6S
Molecular Weight373.43 g/mol
Exact Mass373.13
IUPAC Name4-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxylic acid
SMILESCCN1CCN(S(=O)(=O)c2ccnc(OCCOC)c2C(=O)O)CC1
InChIInChI=1S/C15H23N3O6S/c1-3-17-6-8-18(9-7-17)25(21,22)12-4-5-16-14(13(12)15(19)20)24-11-10-23-2/h4-5H,3,6-11H2,1-2H3,(H,19,20)
InChIKeySJYFCNZCSWHCAG-UHFFFAOYSA-N
XLogP0.13
TPSA109.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-Ethoxy-5-[(4-ethylpiperazino)sulfonyl]nicotinic acid
CID 4668928
2-Ethoxypyridine-3-carboxylic acid
CID 2736345
2-(2-Methoxyethoxy)pyridine-3-carboxylic acid
CID 18756188
2-(2-Hydroxyethoxy)pyridine-3-carboxylic acid
CID 28413974
[4-(Benzenesulfonyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 2114420
[2-[4-(Benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2998704
[4-(3,4-Difluorophenyl)sulfonylpiperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 17537469
2-[(1-Methylpiperidin-4-YL)oxy]pyridine-3-carboxylic acid
CID 61284559
(2-Ethoxy-3-pyridinyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 8891717
2-[(5-Methylsulfonyl-3-pyridinyl)methoxy]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid
CID 175753093
[4-(2,5-Difluorophenyl)sulfonylpiperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 7670095
[4-(3,4-Difluorophenyl)sulfonylpiperazin-1-yl]-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
CID 55996924

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxylic acid (CID 18420242) is 4-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxylic acid is CCN1CCN(S(=O)(=O)c2ccnc(OCCOC)c2C(=O)O)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxylic acid?
The InChIKey is SJYFCNZCSWHCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6S/c1-3-17-6-8-18(9-7-17)25(21,22)12-4-5-16-14(13(12)15(19)20)24-11-10-23-2/h4-5H,3,6-11H2,1-2H3,(H,19,20).
What are the key properties of 4-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxylic acid?
4-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxylic acid has a molecular weight of 373.43 g/mol, XLogP of 0.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 18420242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).