[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate

C11H11N3O4 — CID 7783725

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate
SMILESO=C(OCC(=O)N1CCNC1=O)c1ccncc1
InChIInChI=1S/C11H11N3O4/c15-9(14-6-5-13-11(14)17)7-18-10(16)8-1-3-12-4-2-8/h1-4H,5-7H2,(H,13,17)
InChIKeyAKTPMSYAARVAKJ-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.21
Rot. Bonds3

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate (PubChem CID 7783725) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate
PubChem CID7783725
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate
SMILESO=C(OCC(=O)N1CCNC1=O)c1ccncc1
InChIInChI=1S/C11H11N3O4/c15-9(14-6-5-13-11(14)17)7-18-10(16)8-1-3-12-4-2-8/h1-4H,5-7H2,(H,13,17)
InChIKeyAKTPMSYAARVAKJ-UHFFFAOYSA-N
XLogP-0.21
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate
CID 8533602
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8554135
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952818
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 8705386
1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate
CID 56505352
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate
CID 7694446
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7194469
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-phenylacetate
CID 7874639
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-ethoxybenzoate
CID 7758181
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-methylsulfanyl-3-nitrobenzoate
CID 7361745
1-[2-(4-aminophenoxy)acetyl]imidazolidin-2-one
CID 54909200
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate
CID 8612963

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate (CID 7783725) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate is O=C(OCC(=O)N1CCNC1=O)c1ccncc1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate?
The InChIKey is AKTPMSYAARVAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-9(14-6-5-13-11(14)17)7-18-10(16)8-1-3-12-4-2-8/h1-4H,5-7H2,(H,13,17).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate has a molecular weight of 249.23 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate is sourced from PubChem (CID 7783725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).