ethyl 5-(methylamino)imidazo[1,2-a]pyridine-3-carboxylate

C11H13N3O2 — CID 178051799

IUPACethyl 5-(methylamino)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2cccc(NC)n12
InChIInChI=1S/C11H13N3O2/c1-3-16-11(15)8-7-13-10-6-4-5-9(12-2)14(8)10/h4-7,12H,3H2,1-2H3
InChIKeyADLDCBUJSWOSBP-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.55
Rot. Bonds3

About ethyl 5-(methylamino)imidazo[1,2-a]pyridine-3-carboxylate

ethyl 5-(methylamino)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 178051799) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 5-(methylamino)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(methylamino)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID178051799
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl 5-(methylamino)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2cccc(NC)n12
InChIInChI=1S/C11H13N3O2/c1-3-16-11(15)8-7-13-10-6-4-5-9(12-2)14(8)10/h4-7,12H,3H2,1-2H3
InChIKeyADLDCBUJSWOSBP-UHFFFAOYSA-N
XLogP1.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 119007009
ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate
CID 13480896
ethyl 7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-6-carboxylate
CID 12038723
ethyl 2-methyl-3-phenylimidazole-4-carboxylate
CID 134397442
ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate
CID 69203579
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 155820424
ethyl 1-(methylamino)pyrrole-2-carboxylate
CID 90307328
ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 130113655
ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 135393217
ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 82343002
6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid
CID 146160536

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(methylamino)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(methylamino)imidazo[1,2-a]pyridine-3-carboxylate (CID 178051799) is ethyl 5-(methylamino)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(methylamino)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(methylamino)imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2cccc(NC)n12.
What is the InChIKey of ethyl 5-(methylamino)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is ADLDCBUJSWOSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-16-11(15)8-7-13-10-6-4-5-9(12-2)14(8)10/h4-7,12H,3H2,1-2H3.
What are the key properties of ethyl 5-(methylamino)imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 5-(methylamino)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(methylamino)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 178051799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).