3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C20H17N5O3S — CID 59186169

IUPAC3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCS(=O)(=O)c1cccc(-c2cccc3nc(Nc4cccc(C(N)=O)c4)nn23)c1
InChIInChI=1S/C20H17N5O3S/c1-29(27,28)16-8-3-5-13(12-16)17-9-4-10-18-23-20(24-25(17)18)22-15-7-2-6-14(11-15)19(21)26/h2-12H,1H3,(H2,21,26)(H,22,24)
InChIKeyHVYQDMOQOPRXTD-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.64
Rot. Bonds5

About 3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 59186169) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID59186169
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCS(=O)(=O)c1cccc(-c2cccc3nc(Nc4cccc(C(N)=O)c4)nn23)c1
InChIInChI=1S/C20H17N5O3S/c1-29(27,28)16-8-3-5-13(12-16)17-9-4-10-18-23-20(24-25(17)18)22-15-7-2-6-14(11-15)19(21)26/h2-12H,1H3,(H2,21,26)(H,22,24)
InChIKeyHVYQDMOQOPRXTD-UHFFFAOYSA-N
XLogP2.64
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of 3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 59186169) is 3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4cccc(C(N)=O)c4)nn23)c1.
What is the InChIKey of 3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is HVYQDMOQOPRXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-29(27,28)16-8-3-5-13(12-16)17-9-4-10-18-23-20(24-25(17)18)22-15-7-2-6-14(11-15)19(21)26/h2-12H,1H3,(H2,21,26)(H,22,24).
What are the key properties of 3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 407.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 59186169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).