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

C20H17N5O — CID 91017506

IUPAC4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCc1ccc(-c2cccc3nc(Nc4ccc(C(N)=O)cc4)nn23)cc1
InChIInChI=1S/C20H17N5O/c1-13-5-7-14(8-6-13)17-3-2-4-18-23-20(24-25(17)18)22-16-11-9-15(10-12-16)19(21)26/h2-12H,1H3,(H2,21,26)(H,22,24)
InChIKeyUEGXSHTVIICJLL-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.55
Rot. Bonds4

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

4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 91017506) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID91017506
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCc1ccc(-c2cccc3nc(Nc4ccc(C(N)=O)cc4)nn23)cc1
InChIInChI=1S/C20H17N5O/c1-13-5-7-14(8-6-13)17-3-2-4-18-23-20(24-25(17)18)22-16-11-9-15(10-12-16)19(21)26/h2-12H,1H3,(H2,21,26)(H,22,24)
InChIKeyUEGXSHTVIICJLL-UHFFFAOYSA-N
XLogP3.55
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of 4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 91017506) is 4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is Cc1ccc(-c2cccc3nc(Nc4ccc(C(N)=O)cc4)nn23)cc1.
What is the InChIKey of 4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is UEGXSHTVIICJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-5-7-14(8-6-13)17-3-2-4-18-23-20(24-25(17)18)22-16-11-9-15(10-12-16)19(21)26/h2-12H,1H3,(H2,21,26)(H,22,24).
What are the key properties of 4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 343.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 91017506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).