[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

C17H21N3O3 — CID 55325115

IUPAC[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESC=C(C)CN(CC)C(=O)COC(=O)c1cn2c(C)cccc2n1
InChIInChI=1S/C17H21N3O3/c1-5-19(9-12(2)3)16(21)11-23-17(22)14-10-20-13(4)7-6-8-15(20)18-14/h6-8,10H,2,5,9,11H2,1,3-4H3
InChIKeyCDSMALCDNZIXBA-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.22
Rot. Bonds6

About [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 55325115) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID55325115
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESC=C(C)CN(CC)C(=O)COC(=O)c1cn2c(C)cccc2n1
InChIInChI=1S/C17H21N3O3/c1-5-19(9-12(2)3)16(21)11-23-17(22)14-10-20-13(4)7-6-8-15(20)18-14/h6-8,10H,2,5,9,11H2,1,3-4H3
InChIKeyCDSMALCDNZIXBA-UHFFFAOYSA-N
XLogP2.22
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 55325115) is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is C=C(C)CN(CC)C(=O)COC(=O)c1cn2c(C)cccc2n1.
What is the InChIKey of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is CDSMALCDNZIXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-5-19(9-12(2)3)16(21)11-23-17(22)14-10-20-13(4)7-6-8-15(20)18-14/h6-8,10H,2,5,9,11H2,1,3-4H3.
What are the key properties of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 55325115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).