ethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate

C16H23N3O2 — CID 86817362

IUPACethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate
SMILESCCOC(=O)C(C)C(C)NCc1cnc2c(C)cccn12
InChIInChI=1S/C16H23N3O2/c1-5-21-16(20)12(3)13(4)17-9-14-10-18-15-11(2)7-6-8-19(14)15/h6-8,10,12-13,17H,5,9H2,1-4H3
InChIKeyNEIQINCKEGHBNN-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.32
Rot. Bonds6

About ethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate

ethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate (PubChem CID 86817362) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate
PubChem CID86817362
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Nameethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate
SMILESCCOC(=O)C(C)C(C)NCc1cnc2c(C)cccn12
InChIInChI=1S/C16H23N3O2/c1-5-21-16(20)12(3)13(4)17-9-14-10-18-15-11(2)7-6-8-19(14)15/h6-8,10,12-13,17H,5,9H2,1-4H3
InChIKeyNEIQINCKEGHBNN-UHFFFAOYSA-N
XLogP2.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 115651142
1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-2-ol
CID 111466797
4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid
CID 122127689
3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-2-ol
CID 111466759
diethyl 2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)amino]methylidene]propanedioate
CID 12913361
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-2-amine
CID 95213205
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 91782592
N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 56880443
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 119138698
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-N'-(4-methylphenyl)propanediamide
CID 56738129
3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine
CID 10726071
N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 95121672

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate?
The IUPAC name of ethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate (CID 86817362) is ethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate.
What is the SMILES notation for ethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate?
The canonical SMILES for ethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate is CCOC(=O)C(C)C(C)NCc1cnc2c(C)cccn12.
What is the InChIKey of ethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate?
The InChIKey is NEIQINCKEGHBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-21-16(20)12(3)13(4)17-9-14-10-18-15-11(2)7-6-8-19(14)15/h6-8,10,12-13,17H,5,9H2,1-4H3.
What are the key properties of ethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate?
ethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate has a molecular weight of 289.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate is sourced from PubChem (CID 86817362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).