2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide

C19H24N4O4S — CID 42175326

IUPAC2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc[nH]c1=O
InChIInChI=1S/C19H24N4O4S/c24-18-17(8-4-9-20-18)19(25)21-10-5-15-28(26,27)23-13-11-22(12-14-23)16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2,(H,20,24)(H,21,25)
InChIKeyZLJPMCRZLRIOPU-UHFFFAOYSA-N
MW404.49 g/mol
LogP0.65
Rot. Bonds7

About 2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide

2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide (PubChem CID 42175326) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide
PubChem CID42175326
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc[nH]c1=O
InChIInChI=1S/C19H24N4O4S/c24-18-17(8-4-9-20-18)19(25)21-10-5-15-28(26,27)23-13-11-22(12-14-23)16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2,(H,20,24)(H,21,25)
InChIKeyZLJPMCRZLRIOPU-UHFFFAOYSA-N
XLogP0.65
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175227
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175274
2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175277
3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175212
3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175324
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-methylsulfanylbenzamide
CID 42175730
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,3-diphenylpropanamide
CID 42175427
4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175284
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42959764
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175267
2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
CID 46403357

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide (CID 42175326) is 2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide is O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide?
The InChIKey is ZLJPMCRZLRIOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c24-18-17(8-4-9-20-18)19(25)21-10-5-15-28(26,27)23-13-11-22(12-14-23)16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2,(H,20,24)(H,21,25).
What are the key properties of 2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 42175326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).