3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide

C19H25N5O3S — CID 162665066

IUPAC3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H25N5O3S/c20-28(26,27)17-6-4-16(5-7-17)15-22-19(25)8-10-23-11-13-24(14-12-23)18-3-1-2-9-21-18/h1-7,9H,8,10-15H2,(H,22,25)(H2,20,26,27)
InChIKeyQJCIEVPMVOLTEN-UHFFFAOYSA-N
MW403.51 g/mol
LogP0.56
Rot. Bonds7

About 3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide

3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 162665066) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID162665066
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H25N5O3S/c20-28(26,27)17-6-4-16(5-7-17)15-22-19(25)8-10-23-11-13-24(14-12-23)18-3-1-2-9-21-18/h1-7,9H,8,10-15H2,(H,22,25)(H2,20,26,27)
InChIKeyQJCIEVPMVOLTEN-UHFFFAOYSA-N
XLogP0.56
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119527517
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
(2R)-4-(benzylamino)-4-oxo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]butanoic acid
CID 52901755
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 120947300
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
(2S)-3-phenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propanoylamino]propanoic acid
CID 119366582
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119605702
N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119438834
N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 6259677
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119572479
N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide
CID 24690721

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 162665066) is 3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide is NS(=O)(=O)c1ccc(CNC(=O)CCN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is QJCIEVPMVOLTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c20-28(26,27)17-6-4-16(5-7-17)15-22-19(25)8-10-23-11-13-24(14-12-23)18-3-1-2-9-21-18/h1-7,9H,8,10-15H2,(H,22,25)(H2,20,26,27).
What are the key properties of 3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 403.51 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 162665066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).