[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

C16H21N3O3 — CID 18202318

IUPAC[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCC(C)(C)NC(=O)COC(=O)c1cn2c(C)cccc2n1
InChIInChI=1S/C16H21N3O3/c1-5-16(3,4)18-14(20)10-22-15(21)12-9-19-11(2)7-6-8-13(19)17-12/h6-9H,5,10H2,1-4H3,(H,18,20)
InChIKeyWRGXRUMRYJUBLL-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.10
Rot. Bonds5

About [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 18202318) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID18202318
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCC(C)(C)NC(=O)COC(=O)c1cn2c(C)cccc2n1
InChIInChI=1S/C16H21N3O3/c1-5-16(3,4)18-14(20)10-22-15(21)12-9-19-11(2)7-6-8-13(19)17-12/h6-9H,5,10H2,1-4H3,(H,18,20)
InChIKeyWRGXRUMRYJUBLL-UHFFFAOYSA-N
XLogP2.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 75412698
[2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 97310799
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55325115
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40576053
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55401925
5-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 43236612
N-(1-hydroxy-3-methylpentan-3-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 103945561
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55481787
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 9079838
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40682092
[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55568016
2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
CID 81368196

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 18202318) is [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is CCC(C)(C)NC(=O)COC(=O)c1cn2c(C)cccc2n1.
What is the InChIKey of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is WRGXRUMRYJUBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-5-16(3,4)18-14(20)10-22-15(21)12-9-19-11(2)7-6-8-13(19)17-12/h6-9H,5,10H2,1-4H3,(H,18,20).
What are the key properties of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 18202318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).