2-methyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide

C22H25N5O3S — CID 2998575

IUPAC2-methyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)n(-c2ccccn2)n1
InChIInChI=1S/C22H25N5O3S/c1-16-9-10-18(31(29,30)26-12-6-3-7-13-26)15-19(16)22(28)24-21-14-17(2)25-27(21)20-8-4-5-11-23-20/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3,(H,24,28)
InChIKeyDPZSSMOOVOJYHR-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.31
Rot. Bonds5

About 2-methyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide

2-methyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 2998575) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID2998575
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name2-methyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)n(-c2ccccn2)n1
InChIInChI=1S/C22H25N5O3S/c1-16-9-10-18(31(29,30)26-12-6-3-7-13-26)15-19(16)22(28)24-21-14-17(2)25-27(21)20-8-4-5-11-23-20/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3,(H,24,28)
InChIKeyDPZSSMOOVOJYHR-UHFFFAOYSA-N
XLogP3.31
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide
CID 10719336
4-(azepan-1-ylsulfonyl)-N-(1-phenylpyrazol-3-yl)benzamide
CID 2308367
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 25110821
5-(tert-butylsulfamoyl)-2-methyl-N-(5-methylpyridin-2-yl)benzamide
CID 16354321
4-[(diethylamino)sulfonyl]-N-[1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135731907
N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934736
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 2395510
3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide
CID 3906586
4-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide
CID 4570071
4-fluoro-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide
CID 5193716
N-(5-methyl-2-pyridinyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18106799
2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide
CID 24687370

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide (CID 2998575) is 2-methyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide is Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)n(-c2ccccn2)n1.
What is the InChIKey of 2-methyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is DPZSSMOOVOJYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-16-9-10-18(31(29,30)26-12-6-3-7-13-26)15-19(16)22(28)24-21-14-17(2)25-27(21)20-8-4-5-11-23-20/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3,(H,24,28).
What are the key properties of 2-methyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide?
2-methyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 439.54 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2998575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).