[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

C15H19N3O3 — CID 55401925

IUPAC[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cccc2nc(C(=O)OCC(=O)N(C)C(C)C)cn12
InChIInChI=1S/C15H19N3O3/c1-10(2)17(4)14(19)9-21-15(20)12-8-18-11(3)6-5-7-13(18)16-12/h5-8,10H,9H2,1-4H3
InChIKeySTPWHNRNQJLZLC-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.67
Rot. Bonds4

About [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 55401925) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID55401925
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cccc2nc(C(=O)OCC(=O)N(C)C(C)C)cn12
InChIInChI=1S/C15H19N3O3/c1-10(2)17(4)14(19)9-21-15(20)12-8-18-11(3)6-5-7-13(18)16-12/h5-8,10H,9H2,1-4H3
InChIKeySTPWHNRNQJLZLC-UHFFFAOYSA-N
XLogP1.67
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.67
H-Bond Donors ≤ 50
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-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55325115
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40682077
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40576053
[2-[[(2R)-butan-2-yl]-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40576172
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 18202318
5-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 43236612
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40682092
[2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55324995
[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55568016
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methylbenzoate
CID 61320786
[2-oxo-2-[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 97310799

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 55401925) is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is Cc1cccc2nc(C(=O)OCC(=O)N(C)C(C)C)cn12.
What is the InChIKey of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is STPWHNRNQJLZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)17(4)14(19)9-21-15(20)12-8-18-11(3)6-5-7-13(18)16-12/h5-8,10H,9H2,1-4H3.
What are the key properties of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 55401925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).