[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

C21H21N3O5 — CID 33417738

IUPAC[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)CN(C(=O)COC(=O)c1cn2ccc(C)cc2n1)c1ccccc1
InChIInChI=1S/C21H21N3O5/c1-3-28-20(26)13-24(16-7-5-4-6-8-16)19(25)14-29-21(27)17-12-23-10-9-15(2)11-18(23)22-17/h4-12H,3,13-14H2,1-2H3
InChIKeyKGYDGRFBLBFVNV-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.40
Rot. Bonds7

About [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 33417738) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID33417738
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)CN(C(=O)COC(=O)c1cn2ccc(C)cc2n1)c1ccccc1
InChIInChI=1S/C21H21N3O5/c1-3-28-20(26)13-24(16-7-5-4-6-8-16)19(25)14-29-21(27)17-12-23-10-9-15(2)11-18(23)22-17/h4-12H,3,13-14H2,1-2H3
InChIKeyKGYDGRFBLBFVNV-UHFFFAOYSA-N
XLogP2.40
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 33417738) is [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)CN(C(=O)COC(=O)c1cn2ccc(C)cc2n1)c1ccccc1.
What is the InChIKey of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is KGYDGRFBLBFVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-3-28-20(26)13-24(16-7-5-4-6-8-16)19(25)14-29-21(27)17-12-23-10-9-15(2)11-18(23)22-17/h4-12H,3,13-14H2,1-2H3.
What are the key properties of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 395.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 33417738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).