ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate

C11H12N4O2 — CID 42647388

IUPACethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(-c2cccnc2)c1N
InChIInChI=1S/C11H12N4O2/c1-2-17-11(16)9-10(12)15(7-14-9)8-4-3-5-13-6-8/h3-7H,2,12H2,1H3
InChIKeyRJRFOAJQFLWZII-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.03
Rot. Bonds3

About ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate

ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate (PubChem CID 42647388) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate
PubChem CID42647388
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Nameethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(-c2cccnc2)c1N
InChIInChI=1S/C11H12N4O2/c1-2-17-11(16)9-10(12)15(7-14-9)8-4-3-5-13-6-8/h3-7H,2,12H2,1H3
InChIKeyRJRFOAJQFLWZII-UHFFFAOYSA-N
XLogP1.03
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-1-(5-methyl-3-pyridinyl)imidazole-4-carboxylate
CID 107586542
ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate
CID 103094737
ethyl 5-amino-1-(3,5-dichloro-4-fluorophenyl)imidazole-4-carboxylate
CID 107577886
ethyl 5-amino-1-(3-bromo-5-methoxyphenyl)imidazole-4-carboxylate
CID 82858936
ethyl 5-amino-1-(thiadiazol-5-yl)imidazole-4-carboxylate
CID 107649030
ethyl 3,5-dimethyl-1-pyridin-3-ylpyrazole-4-carboxylate
CID 171564003
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate
CID 12972530
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl 5-amino-1-(2-chloro-5-fluorophenyl)imidazole-4-carboxylate
CID 107531101
ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
CID 107645910

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate (CID 42647388) is ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate is CCOC(=O)c1ncn(-c2cccnc2)c1N.
What is the InChIKey of ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate?
The InChIKey is RJRFOAJQFLWZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-17-11(16)9-10(12)15(7-14-9)8-4-3-5-13-6-8/h3-7H,2,12H2,1H3.
What are the key properties of ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate?
ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate is sourced from PubChem (CID 42647388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).