[4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate

C22H18N2O4 — CID 51110358

IUPAC[4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate
SMILESO=C(Oc1ccc(N2CCCC2=O)cc1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C22H18N2O4/c25-20-9-5-15-24(20)16-10-12-18(13-11-16)28-22(26)19-8-4-14-23-21(19)27-17-6-2-1-3-7-17/h1-4,6-8,10-14H,5,9,15H2
InChIKeyITEIBOVGIRNSAQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.22
Rot. Bonds5

About [4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate

[4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate (PubChem CID 51110358) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is [4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate
PubChem CID51110358
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name[4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate
SMILESO=C(Oc1ccc(N2CCCC2=O)cc1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C22H18N2O4/c25-20-9-5-15-24(20)16-10-12-18(13-11-16)28-22(26)19-8-4-14-23-21(19)27-17-6-2-1-3-7-17/h1-4,6-8,10-14H,5,9,15H2
InChIKeyITEIBOVGIRNSAQ-UHFFFAOYSA-N
XLogP4.22
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate
CID 36609935
2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 39283941
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate
CID 46611878
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 46611893
[4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate
CID 51218356
(2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate
CID 2811307
[4-(2-oxopyrrolidin-1-yl)phenyl] 5-fluoro-2-methylbenzoate
CID 33089114
[4-(2-oxopyrrolidin-1-yl)phenyl] 1-(2-fluorophenyl)-5-methylpyrazole-4-carboxylate
CID 134026276
[4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 51112697
[4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate
CID 34144593
[4-(2-oxopyrrolidin-1-yl)phenyl] 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 30042815

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate?
The IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate (CID 51110358) is [4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate.
What is the SMILES notation for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate?
The canonical SMILES for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate is O=C(Oc1ccc(N2CCCC2=O)cc1)c1cccnc1Oc1ccccc1.
What is the InChIKey of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate?
The InChIKey is ITEIBOVGIRNSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-20-9-5-15-24(20)16-10-12-18(13-11-16)28-22(26)19-8-4-14-23-21(19)27-17-6-2-1-3-7-17/h1-4,6-8,10-14H,5,9,15H2.
What are the key properties of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate?
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate has a molecular weight of 374.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 51110358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).