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

C17H18N4O — CID 53190455

IUPAC2-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1cccn2nc(C(C)C)nc12
InChIInChI=1S/C17H18N4O/c1-11(2)15-19-16-14(9-6-10-21(16)20-15)18-17(22)13-8-5-4-7-12(13)3/h4-11H,1-3H3,(H,18,22)
InChIKeyKUENDDJPTZFVCU-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.41
Rot. Bonds3

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

2-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide (PubChem CID 53190455) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide
PubChem CID53190455
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1cccn2nc(C(C)C)nc12
InChIInChI=1S/C17H18N4O/c1-11(2)15-19-16-14(9-6-10-21(16)20-15)18-17(22)13-8-5-4-7-12(13)3/h4-11H,1-3H3,(H,18,22)
InChIKeyKUENDDJPTZFVCU-UHFFFAOYSA-N
XLogP3.41
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide?
The IUPAC name of 2-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide (CID 53190455) is 2-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide?
The canonical SMILES for 2-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide is Cc1ccccc1C(=O)Nc1cccn2nc(C(C)C)nc12.
What is the InChIKey of 2-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide?
The InChIKey is KUENDDJPTZFVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11(2)15-19-16-14(9-6-10-21(16)20-15)18-17(22)13-8-5-4-7-12(13)3/h4-11H,1-3H3,(H,18,22).
What are the key properties of 2-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide?
2-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide has a molecular weight of 294.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide is sourced from PubChem (CID 53190455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).