ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate

C15H21N3O2 — CID 64580281

IUPACethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate
SMILESCCOC(=O)CCCNCc1c(C)nc2ccccn12
InChIInChI=1S/C15H21N3O2/c1-3-20-15(19)8-6-9-16-11-13-12(2)17-14-7-4-5-10-18(13)14/h4-5,7,10,16H,3,6,8-9,11H2,1-2H3
InChIKeyIUXILSJOTOAZPC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.08
Rot. Bonds7

About ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate

ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate (PubChem CID 64580281) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate
PubChem CID64580281
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nameethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate
SMILESCCOC(=O)CCCNCc1c(C)nc2ccccn12
InChIInChI=1S/C15H21N3O2/c1-3-20-15(19)8-6-9-16-11-13-12(2)17-14-7-4-5-10-18(13)14/h4-5,7,10,16H,3,6,8-9,11H2,1-2H3
InChIKeyIUXILSJOTOAZPC-UHFFFAOYSA-N
XLogP2.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide
CID 60863042
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 54904820
3-(2-methoxyethoxy)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 43770876
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115674375
ethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate
CID 84561935
(2-methylimidazo[1,2-a]pyridin-3-yl)methylurea
CID 139728346
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine
CID 115685656
methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate
CID 54920768
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43767977
2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfonylpropan-1-amine
CID 79552337
ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate
CID 80702154
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate?
The IUPAC name of ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate (CID 64580281) is ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate.
What is the SMILES notation for ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate?
The canonical SMILES for ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate is CCOC(=O)CCCNCc1c(C)nc2ccccn12.
What is the InChIKey of ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate?
The InChIKey is IUXILSJOTOAZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-20-15(19)8-6-9-16-11-13-12(2)17-14-7-4-5-10-18(13)14/h4-5,7,10,16H,3,6,8-9,11H2,1-2H3.
What are the key properties of ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate?
ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate has a molecular weight of 275.35 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate is sourced from PubChem (CID 64580281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).