3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C21H18N4O2 — CID 46367480

IUPAC3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1ccc(NC(=O)c2cccn3c(Cc4ccccc4)nnc23)c(O)c1
InChIInChI=1S/C21H18N4O2/c1-14-9-10-17(18(26)12-14)22-21(27)16-8-5-11-25-19(23-24-20(16)25)13-15-6-3-2-4-7-15/h2-12,26H,13H2,1H3,(H,22,27)
InChIKeyRZCZUETZHHOQHN-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.59
Rot. Bonds4

About 3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 46367480) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID46367480
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1ccc(NC(=O)c2cccn3c(Cc4ccccc4)nnc23)c(O)c1
InChIInChI=1S/C21H18N4O2/c1-14-9-10-17(18(26)12-14)22-21(27)16-8-5-11-25-19(23-24-20(16)25)13-15-6-3-2-4-7-15/h2-12,26H,13H2,1H3,(H,22,27)
InChIKeyRZCZUETZHHOQHN-UHFFFAOYSA-N
XLogP3.59
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146892
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147677
[3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-piperazin-1-ylmethanone
CID 84614482
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 9495603
N-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 84614507
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147696
N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide
CID 136756008
N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 86764731
N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide
CID 60727615
N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18138231
2-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881646

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of 3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 46367480) is 3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for 3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for 3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cc1ccc(NC(=O)c2cccn3c(Cc4ccccc4)nnc23)c(O)c1.
What is the InChIKey of 3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is RZCZUETZHHOQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-9-10-17(18(26)12-14)22-21(27)16-8-5-11-25-19(23-24-20(16)25)13-15-6-3-2-4-7-15/h2-12,26H,13H2,1H3,(H,22,27).
What are the key properties of 3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 46367480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).