ethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate

C14H17N3O4 — CID 10085656

IUPACethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(c1)nc(C)n2CCOC(C)=O
InChIInChI=1S/C14H17N3O4/c1-4-20-14(19)11-7-12-13(15-8-11)17(9(2)16-12)5-6-21-10(3)18/h7-8H,4-6H2,1-3H3
InChIKeyGVFWZYDKGRUBMP-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.48
Rot. Bonds5

About ethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate

ethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 10085656) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is ethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate
PubChem CID10085656
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Nameethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(c1)nc(C)n2CCOC(C)=O
InChIInChI=1S/C14H17N3O4/c1-4-20-14(19)11-7-12-13(15-8-11)17(9(2)16-12)5-6-21-10(3)18/h7-8H,4-6H2,1-3H3
InChIKeyGVFWZYDKGRUBMP-UHFFFAOYSA-N
XLogP1.48
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82475538
ethyl 3-ethyl-2-methylbenzimidazole-5-carboxylate
CID 5297383
2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
CID 82143969
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate
CID 83205092
ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate
CID 154776202
ethyl 7-acetyloxy-2,3-dimethylbenzimidazole-5-carboxylate
CID 121004665
ethyl 3-methoxyquinoxaline-6-carboxylate
CID 89443102
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethyl 3-(2-acetyloxyethyl)-1-(2-hydroxyethyl)-2-methylbenzimidazol-1-ium-5-carboxylate iodide
CID 52997533
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
3-ethyl-2,6-dimethylimidazo[4,5-b]pyridine
CID 162381340
ethyl 3-benzyl-2-methylbenzimidazole-5-carboxylate
CID 18681119

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate (CID 10085656) is ethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate is CCOC(=O)c1cnc2c(c1)nc(C)n2CCOC(C)=O.
What is the InChIKey of ethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is GVFWZYDKGRUBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-4-20-14(19)11-7-12-13(15-8-11)17(9(2)16-12)5-6-21-10(3)18/h7-8H,4-6H2,1-3H3.
What are the key properties of ethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate?
ethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 10085656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).