4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

C17H18N6O3S — CID 122187642

IUPAC4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESN#Cc1cccnc1N1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H18N6O3S/c18-12-13-2-1-7-20-16(13)22-8-10-23(11-9-22)17(24)21-14-3-5-15(6-4-14)27(19,25)26/h1-7H,8-11H2,(H,21,24)(H2,19,25,26)
InChIKeyFQGSDMLXGNWQGV-UHFFFAOYSA-N
MW386.44 g/mol
LogP0.95
Rot. Bonds3

About 4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (PubChem CID 122187642) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
PubChem CID122187642
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESN#Cc1cccnc1N1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H18N6O3S/c18-12-13-2-1-7-20-16(13)22-8-10-23(11-9-22)17(24)21-14-3-5-15(6-4-14)27(19,25)26/h1-7H,8-11H2,(H,21,24)(H2,19,25,26)
InChIKeyFQGSDMLXGNWQGV-UHFFFAOYSA-N
XLogP0.95
TPSA132.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,4-dimethyl-N-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)benzenesulfonamide
CID 2953239
1-[(4-Methylphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 735815
2-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 16267445
1-(Phenylsulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 44237012
Arylsulfonylpiperazine, 16
CID 44237021
1-[(6-Aminopyridin-3-Yl)methyl]-3-[4-(Phenylsulfonyl)phenyl]urea
CID 66610926
N-[4-({4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}sulfonyl)phenyl]acetamide
CID 2740568
Arylsulfonylpiperazine, 24
CID 44237027
4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 122187640
3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide
CID 24685891
2-(4-pyridin-2-ylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 20970546
N-[4-[(4-methylpyridin-2-yl)sulfamoyl]phenyl]acetamide
CID 772016

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (CID 122187642) is 4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The InChIKey is FQGSDMLXGNWQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c18-12-13-2-1-7-20-16(13)22-8-10-23(11-9-22)17(24)21-14-3-5-15(6-4-14)27(19,25)26/h1-7H,8-11H2,(H,21,24)(H2,19,25,26).
What are the key properties of 4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 122187642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).