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

C20H23N5O3S — CID 46671326

IUPAC3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESO=C(NCCc1nnc2ccccn12)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H23N5O3S/c26-20(21-11-10-19-23-22-18-9-2-5-14-25(18)19)16-7-6-8-17(15-16)29(27,28)24-12-3-1-4-13-24/h2,5-9,14-15H,1,3-4,10-13H2,(H,21,26)
InChIKeyQYDNMZILHLNOEL-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.88
Rot. Bonds6

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

3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (PubChem CID 46671326) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
PubChem CID46671326
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESO=C(NCCc1nnc2ccccn12)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H23N5O3S/c26-20(21-11-10-19-23-22-18-9-2-5-14-25(18)19)16-7-6-8-17(15-16)29(27,28)24-12-3-1-4-13-24/h2,5-9,14-15H,1,3-4,10-13H2,(H,21,26)
InChIKeyQYDNMZILHLNOEL-UHFFFAOYSA-N
XLogP1.88
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848577
1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
CID 134014213
4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021031
3-(methanesulfonamido)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 37212641
N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119382891
N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 52792200
N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688937
4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 134014260
N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 119508393
N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119498558
3-nitro-4-pyrrolidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 27161868
N-[2-(2-methoxyphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43009482

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (CID 46671326) is 3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is O=C(NCCc1nnc2ccccn12)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The InChIKey is QYDNMZILHLNOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c26-20(21-11-10-19-23-22-18-9-2-5-14-25(18)19)16-7-6-8-17(15-16)29(27,28)24-12-3-1-4-13-24/h2,5-9,14-15H,1,3-4,10-13H2,(H,21,26).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide has a molecular weight of 413.50 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 46671326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).