4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide

C22H28N6O3S — CID 55578796

IUPAC4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1
InChIInChI=1S/C22H28N6O3S/c1-3-28(4-2)32(30,31)20-7-5-18(6-8-20)17-25-22(29)27-13-11-26(12-14-27)21-15-19(16-23)9-10-24-21/h5-10,15H,3-4,11-14,17H2,1-2H3,(H,25,29)
InChIKeyOYCYPPLHLHGFRY-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.02
Rot. Bonds7

About 4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide

4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 55578796) has the molecular formula C22H28N6O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is 4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID55578796
Molecular FormulaC22H28N6O3S
Molecular Weight456.57 g/mol
Exact Mass456.19
IUPAC Name4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1
InChIInChI=1S/C22H28N6O3S/c1-3-28(4-2)32(30,31)20-7-5-18(6-8-20)17-25-22(29)27-13-11-26(12-14-27)21-15-19(16-23)9-10-24-21/h5-10,15H,3-4,11-14,17H2,1-2H3,(H,25,29)
InChIKeyOYCYPPLHLHGFRY-UHFFFAOYSA-N
XLogP2.02
TPSA109.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide
CID 55589982
4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 51084077
4-(4-cyano-2-pyridinyl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]piperazine-1-carboxamide
CID 94125172
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
2-[4-[4-(ethylsulfanylmethyl)benzoyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55890411
4-(4-cyano-2-pyridinyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperazine-1-carboxamide
CID 55909740
4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019557
4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119179721
4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108801
2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 95573247
2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55793953

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide (CID 55578796) is 4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1.
What is the InChIKey of 4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is OYCYPPLHLHGFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3S/c1-3-28(4-2)32(30,31)20-7-5-18(6-8-20)17-25-22(29)27-13-11-26(12-14-27)21-15-19(16-23)9-10-24-21/h5-10,15H,3-4,11-14,17H2,1-2H3,(H,25,29).
What are the key properties of 4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide?
4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 55578796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).