methyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate

C12H13N3O3 — CID 90446868

IUPACmethyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate
SMILESCCc1nc2ccc(C(=O)OC)cn2c1NC=O
InChIInChI=1S/C12H13N3O3/c1-3-9-11(13-7-16)15-6-8(12(17)18-2)4-5-10(15)14-9/h4-7H,3H2,1-2H3,(H,13,16)
InChIKeyBQMDLOKNCBCYQB-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.25
Rot. Bonds4

About methyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate

methyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 90446868) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID90446868
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Namemethyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate
SMILESCCc1nc2ccc(C(=O)OC)cn2c1NC=O
InChIInChI=1S/C12H13N3O3/c1-3-9-11(13-7-16)15-6-8(12(17)18-2)4-5-10(15)14-9/h4-7H,3H2,1-2H3,(H,13,16)
InChIKeyBQMDLOKNCBCYQB-UHFFFAOYSA-N
XLogP1.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-ethyl-3-(2-oxoethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 146840295
N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)formamide
CID 90446871
methyl 3-acetyl-2-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 59176908
methyl 3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384647
methyl 3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 114018630
methyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359967
methyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384807
methyl 3-pentan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384750
methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117256159
methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 84614376
methyl 4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-12-carboxylate
CID 12862360
2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 83841737

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate (CID 90446868) is methyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate is CCc1nc2ccc(C(=O)OC)cn2c1NC=O.
What is the InChIKey of methyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is BQMDLOKNCBCYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-3-9-11(13-7-16)15-6-8(12(17)18-2)4-5-10(15)14-9/h4-7H,3H2,1-2H3,(H,13,16).
What are the key properties of methyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-3-formamidoimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 90446868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).