N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide

C21H18N4O2 — CID 150040152

IUPACN-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide
SMILESCc1cc(-c2ccc3nc(NC(=O)c4ccccc4)nn3c2)cc(C)c1O
InChIInChI=1S/C21H18N4O2/c1-13-10-17(11-14(2)19(13)26)16-8-9-18-22-21(24-25(18)12-16)23-20(27)15-6-4-3-5-7-15/h3-12,26H,1-2H3,(H,23,24,27)
InChIKeyDJCLYWGVSYAFSR-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.97
Rot. Bonds3

About N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide

N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide (PubChem CID 150040152) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide
PubChem CID150040152
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide
SMILESCc1cc(-c2ccc3nc(NC(=O)c4ccccc4)nn3c2)cc(C)c1O
InChIInChI=1S/C21H18N4O2/c1-13-10-17(11-14(2)19(13)26)16-8-9-18-22-21(24-25(18)12-16)23-20(27)15-6-4-3-5-7-15/h3-12,26H,1-2H3,(H,23,24,27)
InChIKeyDJCLYWGVSYAFSR-UHFFFAOYSA-N
XLogP3.97
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide?
The IUPAC name of N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide (CID 150040152) is N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide.
What is the SMILES notation for N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide?
The canonical SMILES for N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide is Cc1cc(-c2ccc3nc(NC(=O)c4ccccc4)nn3c2)cc(C)c1O.
What is the InChIKey of N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide?
The InChIKey is DJCLYWGVSYAFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-13-10-17(11-14(2)19(13)26)16-8-9-18-22-21(24-25(18)12-16)23-20(27)15-6-4-3-5-7-15/h3-12,26H,1-2H3,(H,23,24,27).
What are the key properties of N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide?
N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide has a molecular weight of 358.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 150040152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).