4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

C20H23N5O3S — CID 9021031

IUPAC4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2nnc3ccccn23)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23N5O3S/c1-15-8-9-16(13-17(15)29(27,28)24-10-4-2-5-11-24)20(26)21-14-19-23-22-18-7-3-6-12-25(18)19/h3,6-9,12-13H,2,4-5,10-11,14H2,1H3,(H,21,26)
InChIKeyHCVRNPHKHMDVLP-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.14
Rot. Bonds5

About 4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (PubChem CID 9021031) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
PubChem CID9021031
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2nnc3ccccn23)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23N5O3S/c1-15-8-9-16(13-17(15)29(27,28)24-10-4-2-5-11-24)20(26)21-14-19-23-22-18-7-3-6-12-25(18)19/h3,6-9,12-13H,2,4-5,10-11,14H2,1H3,(H,21,26)
InChIKeyHCVRNPHKHMDVLP-UHFFFAOYSA-N
XLogP2.14
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide with MolForge

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Related Compounds

N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848577
3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 46671326
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
3-[(2,5-dimethylphenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848651
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639
N-[(3-fluorophenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55577453
N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8919230
3-chloro-4-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282558
3-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 7357086
3,5-dimethoxy-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761297

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (CID 9021031) is 4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is Cc1ccc(C(=O)NCc2nnc3ccccn23)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is HCVRNPHKHMDVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-15-8-9-16(13-17(15)29(27,28)24-10-4-2-5-11-24)20(26)21-14-19-23-22-18-7-3-6-12-25(18)19/h3,6-9,12-13H,2,4-5,10-11,14H2,1H3,(H,21,26).
What are the key properties of 4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 413.50 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 9021031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).