2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide

C16H20N6O2 — CID 166256892

IUPAC2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1nn(CC(=O)Nc2c(C(C)C)nc3ccccn23)c(=O)n1C
InChIInChI=1S/C16H20N6O2/c1-10(2)14-15(21-8-6-5-7-12(21)17-14)18-13(23)9-22-16(24)20(4)11(3)19-22/h5-8,10H,9H2,1-4H3,(H,18,23)
InChIKeyISCXWRJXDRUSOU-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.30
Rot. Bonds4

About 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide

2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 166256892) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID166256892
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1nn(CC(=O)Nc2c(C(C)C)nc3ccccn23)c(=O)n1C
InChIInChI=1S/C16H20N6O2/c1-10(2)14-15(21-8-6-5-7-12(21)17-14)18-13(23)9-22-16(24)20(4)11(3)19-22/h5-8,10H,9H2,1-4H3,(H,18,23)
InChIKeyISCXWRJXDRUSOU-UHFFFAOYSA-N
XLogP1.30
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 42738235
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 166204329
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide
CID 115577809
N-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 166241134
N-[1-(furan-2-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134007075
N-(2-methylpropoxy)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 115410231
2-phenyl-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide
CID 167914605
N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-methylbutanamide
CID 42881791
2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 166241451
N-(2-methylprop-2-enyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 114618575
3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine
CID 82356248
methyl N-(2-methylimidazo[1,2-a]pyridin-3-yl)carbamate
CID 83832700

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 166256892) is 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide is Cc1nn(CC(=O)Nc2c(C(C)C)nc3ccccn23)c(=O)n1C.
What is the InChIKey of 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is ISCXWRJXDRUSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-10(2)14-15(21-8-6-5-7-12(21)17-14)18-13(23)9-22-16(24)20(4)11(3)19-22/h5-8,10H,9H2,1-4H3,(H,18,23).
What are the key properties of 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide?
2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 328.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 166256892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).