4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide

C21H19N5O2 — CID 44624093

IUPAC4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1
InChIInChI=1S/C21H19N5O2/c1-22-20(27)15-6-10-16(11-7-15)23-21-24-19-5-3-4-18(26(19)25-21)14-8-12-17(28-2)13-9-14/h3-13H,1-2H3,(H,22,27)(H,23,25)
InChIKeyGEXHPKYFKHPWKJ-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.51
Rot. Bonds5

About 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide

4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide (PubChem CID 44624093) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide
PubChem CID44624093
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1
InChIInChI=1S/C21H19N5O2/c1-22-20(27)15-6-10-16(11-7-15)23-21-24-19-5-3-4-18(26(19)25-21)14-8-12-17(28-2)13-9-14/h3-13H,1-2H3,(H,22,27)(H,23,25)
InChIKeyGEXHPKYFKHPWKJ-UHFFFAOYSA-N
XLogP3.51
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide (CID 44624093) is 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide is CNC(=O)c1ccc(Nc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.
What is the InChIKey of 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide?
The InChIKey is GEXHPKYFKHPWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-22-20(27)15-6-10-16(11-7-15)23-21-24-19-5-3-4-18(26(19)25-21)14-8-12-17(28-2)13-9-14/h3-13H,1-2H3,(H,22,27)(H,23,25).
What are the key properties of 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide?
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide has a molecular weight of 373.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 44624093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).