tert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate

C13H17N3O3 — CID 178108889

IUPACtert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cccc(N2CCNC2=O)n1
InChIInChI=1S/C13H17N3O3/c1-13(2,3)19-11(17)9-5-4-6-10(15-9)16-8-7-14-12(16)18/h4-6H,7-8H2,1-3H3,(H,14,18)
InChIKeyAFTITNLLSXKREI-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.57
Rot. Bonds2

About tert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate

tert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate (PubChem CID 178108889) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is tert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate
PubChem CID178108889
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Nametert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cccc(N2CCNC2=O)n1
InChIInChI=1S/C13H17N3O3/c1-13(2,3)19-11(17)9-5-4-6-10(15-9)16-8-7-14-12(16)18/h4-6H,7-8H2,1-3H3,(H,14,18)
InChIKeyAFTITNLLSXKREI-UHFFFAOYSA-N
XLogP1.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate?
The IUPAC name of tert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate (CID 178108889) is tert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate?
The canonical SMILES for tert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate is CC(C)(C)OC(=O)c1cccc(N2CCNC2=O)n1.
What is the InChIKey of tert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate?
The InChIKey is AFTITNLLSXKREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(2,3)19-11(17)9-5-4-6-10(15-9)16-8-7-14-12(16)18/h4-6H,7-8H2,1-3H3,(H,14,18).
What are the key properties of tert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate?
tert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2-oxoimidazolidin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 178108889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).