ethyl 5-[2-(4-aminophenyl)ethylamino]-2-methylimidazo[1,2-a]pyridine-3-carboxylate

C19H22N4O2 — CID 21190160

IUPACethyl 5-[2-(4-aminophenyl)ethylamino]-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cccc(NCCc3ccc(N)cc3)n12
InChIInChI=1S/C19H22N4O2/c1-3-25-19(24)18-13(2)22-17-6-4-5-16(23(17)18)21-12-11-14-7-9-15(20)10-8-14/h4-10,21H,3,11-12,20H2,1-2H3
InChIKeyIZHMGOVNKYXIJH-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.06
Rot. Bonds6

About ethyl 5-[2-(4-aminophenyl)ethylamino]-2-methylimidazo[1,2-a]pyridine-3-carboxylate

ethyl 5-[2-(4-aminophenyl)ethylamino]-2-methylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 21190160) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is ethyl 5-[2-(4-aminophenyl)ethylamino]-2-methylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(4-aminophenyl)ethylamino]-2-methylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID21190160
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Nameethyl 5-[2-(4-aminophenyl)ethylamino]-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cccc(NCCc3ccc(N)cc3)n12
InChIInChI=1S/C19H22N4O2/c1-3-25-19(24)18-13(2)22-17-6-4-5-16(23(17)18)21-12-11-14-7-9-15(20)10-8-14/h4-10,21H,3,11-12,20H2,1-2H3
InChIKeyIZHMGOVNKYXIJH-UHFFFAOYSA-N
XLogP3.06
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(4-aminophenyl)ethylamino]-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[2-(4-aminophenyl)ethylamino]-2-methylimidazo[1,2-a]pyridine-3-carboxylate (CID 21190160) is ethyl 5-[2-(4-aminophenyl)ethylamino]-2-methylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-(4-aminophenyl)ethylamino]-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[2-(4-aminophenyl)ethylamino]-2-methylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2cccc(NCCc3ccc(N)cc3)n12.
What is the InChIKey of ethyl 5-[2-(4-aminophenyl)ethylamino]-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is IZHMGOVNKYXIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-25-19(24)18-13(2)22-17-6-4-5-16(23(17)18)21-12-11-14-7-9-15(20)10-8-14/h4-10,21H,3,11-12,20H2,1-2H3.
What are the key properties of ethyl 5-[2-(4-aminophenyl)ethylamino]-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 5-[2-(4-aminophenyl)ethylamino]-2-methylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(4-aminophenyl)ethylamino]-2-methylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 21190160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).