N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide

C18H20N4O2 — CID 75376256

IUPACN-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
SMILESCc1ccc(CN(C)C(=O)COc2nnc3ccccn23)c(C)c1
InChIInChI=1S/C18H20N4O2/c1-13-7-8-15(14(2)10-13)11-21(3)17(23)12-24-18-20-19-16-6-4-5-9-22(16)18/h4-10H,11-12H2,1-3H3
InChIKeyUXZCWHYAXYVWHK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.38
Rot. Bonds5

About N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide

N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide (PubChem CID 75376256) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
PubChem CID75376256
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
SMILESCc1ccc(CN(C)C(=O)COc2nnc3ccccn23)c(C)c1
InChIInChI=1S/C18H20N4O2/c1-13-7-8-15(14(2)10-13)11-21(3)17(23)12-24-18-20-19-16-6-4-5-9-22(16)18/h4-10H,11-12H2,1-3H3
InChIKeyUXZCWHYAXYVWHK-UHFFFAOYSA-N
XLogP2.38
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide (CID 75376256) is N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide is Cc1ccc(CN(C)C(=O)COc2nnc3ccccn23)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
The InChIKey is UXZCWHYAXYVWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-7-8-15(14(2)10-13)11-21(3)17(23)12-24-18-20-19-16-6-4-5-9-22(16)18/h4-10H,11-12H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide is sourced from PubChem (CID 75376256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).