5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide

C15H24N4O5S — CID 141012525

IUPAC5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2cnc(OCCOC)c(C(N)=O)c2)CC1
InChIInChI=1S/C15H24N4O5S/c1-3-18-4-6-19(7-5-18)25(21,22)12-10-13(14(16)20)15(17-11-12)24-9-8-23-2/h10-11H,3-9H2,1-2H3,(H2,16,20)
InChIKeyMHMTYAPPXOYZBX-UHFFFAOYSA-N
MW372.45 g/mol
LogP-0.47
Rot. Bonds8

About 5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide

5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide (PubChem CID 141012525) has the molecular formula C15H24N4O5S and a molecular weight of 372.45 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide
PubChem CID141012525
Molecular FormulaC15H24N4O5S
Molecular Weight372.45 g/mol
Exact Mass372.15
IUPAC Name5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2cnc(OCCOC)c(C(N)=O)c2)CC1
InChIInChI=1S/C15H24N4O5S/c1-3-18-4-6-19(7-5-18)25(21,22)12-10-13(14(16)20)15(17-11-12)24-9-8-23-2/h10-11H,3-9H2,1-2H3,(H2,16,20)
InChIKeyMHMTYAPPXOYZBX-UHFFFAOYSA-N
XLogP-0.47
TPSA115.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 5-0.47
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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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide (CID 141012525) is 5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide is CCN1CCN(S(=O)(=O)c2cnc(OCCOC)c(C(N)=O)c2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide?
The InChIKey is MHMTYAPPXOYZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O5S/c1-3-18-4-6-19(7-5-18)25(21,22)12-10-13(14(16)20)15(17-11-12)24-9-8-23-2/h10-11H,3-9H2,1-2H3,(H2,16,20).
What are the key properties of 5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide?
5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of -0.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 141012525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).