ethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate

C20H23N3O2 — CID 22672581

IUPACethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(NCc3c(C)cccc3C)cccn2c1C
InChIInChI=1S/C20H23N3O2/c1-5-25-20(24)18-15(4)23-11-7-10-17(19(23)22-18)21-12-16-13(2)8-6-9-14(16)3/h6-11,21H,5,12H2,1-4H3
InChIKeyMIGCBXHIVLPVMC-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.05
Rot. Bonds5

About ethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate

ethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 22672581) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID22672581
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Nameethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(NCc3c(C)cccc3C)cccn2c1C
InChIInChI=1S/C20H23N3O2/c1-5-25-20(24)18-15(4)23-11-7-10-17(19(23)22-18)21-12-16-13(2)8-6-9-14(16)3/h6-11,21H,5,12H2,1-4H3
InChIKeyMIGCBXHIVLPVMC-UHFFFAOYSA-N
XLogP4.05
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 22672581) is ethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2c(NCc3c(C)cccc3C)cccn2c1C.
What is the InChIKey of ethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is MIGCBXHIVLPVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-5-25-20(24)18-15(4)23-11-7-10-17(19(23)22-18)21-12-16-13(2)8-6-9-14(16)3/h6-11,21H,5,12H2,1-4H3.
What are the key properties of ethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 22672581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).