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

C15H15N5O3S — CID 31282806

IUPAC3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCc2nnc3ccccn23)c1
InChIInChI=1S/C15H15N5O3S/c1-24(22,23)19-12-6-4-5-11(9-12)15(21)16-10-14-18-17-13-7-2-3-8-20(13)14/h2-9,19H,10H2,1H3,(H,16,21)
InChIKeyCJBRWAYUEOOGEK-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.03
Rot. Bonds5

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

3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (PubChem CID 31282806) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
PubChem CID31282806
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCc2nnc3ccccn23)c1
InChIInChI=1S/C15H15N5O3S/c1-24(22,23)19-12-6-4-5-11(9-12)15(21)16-10-14-18-17-13-7-2-3-8-20(13)14/h2-9,19H,10H2,1H3,(H,16,21)
InChIKeyCJBRWAYUEOOGEK-UHFFFAOYSA-N
XLogP1.03
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methanesulfonamido)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 37212641
3-[(2,5-dimethylphenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848651
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide
CID 16613074
6-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 30289705
2-methylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31307812
3-chloro-4-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282558
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
3,5-dimethoxy-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761297
3-bromo-5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 104852495
2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 114326281
N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 40709589

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (CID 31282806) is 3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is CS(=O)(=O)Nc1cccc(C(=O)NCc2nnc3ccccn23)c1.
What is the InChIKey of 3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is CJBRWAYUEOOGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-24(22,23)19-12-6-4-5-11(9-12)15(21)16-10-14-18-17-13-7-2-3-8-20(13)14/h2-9,19H,10H2,1H3,(H,16,21).
What are the key properties of 3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 345.38 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 31282806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).