2,4-dimethyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide

C18H20N4O — CID 53190432

IUPAC2,4-dimethyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cccn3nc(C(C)C)nc23)c(C)c1
InChIInChI=1S/C18H20N4O/c1-11(2)16-20-17-15(6-5-9-22(17)21-16)19-18(23)14-8-7-12(3)10-13(14)4/h5-11H,1-4H3,(H,19,23)
InChIKeyXXUPTWRRVIZAJG-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.72
Rot. Bonds3

About 2,4-dimethyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide

2,4-dimethyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide (PubChem CID 53190432) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide
PubChem CID53190432
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2,4-dimethyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cccn3nc(C(C)C)nc23)c(C)c1
InChIInChI=1S/C18H20N4O/c1-11(2)16-20-17-15(6-5-9-22(17)21-16)19-18(23)14-8-7-12(3)10-13(14)4/h5-11H,1-4H3,(H,19,23)
InChIKeyXXUPTWRRVIZAJG-UHFFFAOYSA-N
XLogP3.72
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide (CID 53190432) is 2,4-dimethyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide is Cc1ccc(C(=O)Nc2cccn3nc(C(C)C)nc23)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide?
The InChIKey is XXUPTWRRVIZAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-11(2)16-20-17-15(6-5-9-22(17)21-16)19-18(23)14-8-7-12(3)10-13(14)4/h5-11H,1-4H3,(H,19,23).
What are the key properties of 2,4-dimethyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide?
2,4-dimethyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide has a molecular weight of 308.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide is sourced from PubChem (CID 53190432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).