[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate

C24H21N3O5 — CID 36609935

IUPAC[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Oc1ccccc1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C24H21N3O5/c28-21(26-17-7-4-8-18(15-17)27-14-6-12-22(27)29)16-31-24(30)20-11-5-13-25-23(20)32-19-9-2-1-3-10-19/h1-5,7-11,13,15H,6,12,14,16H2,(H,26,28)
InChIKeyDNMIHDHHSOONHX-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.80
Rot. Bonds7

About [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate (PubChem CID 36609935) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate
PubChem CID36609935
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Oc1ccccc1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C24H21N3O5/c28-21(26-17-7-4-8-18(15-17)27-14-6-12-22(27)29)16-31-24(30)20-11-5-13-25-23(20)32-19-9-2-1-3-10-19/h1-5,7-11,13,15H,6,12,14,16H2,(H,26,28)
InChIKeyDNMIHDHHSOONHX-UHFFFAOYSA-N
XLogP3.80
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate
CID 51110358
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(3-phenoxyphenyl)acetamide
CID 55411979
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methoxy-5-methylbenzoate
CID 36707531
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 55355394
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
CID 7686879
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(hydroxymethyl)benzoate
CID 36572037
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16608276
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55998740
2-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 166225103
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604753
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131092

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate (CID 36609935) is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate is O=C(COC(=O)c1cccnc1Oc1ccccc1)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate?
The InChIKey is DNMIHDHHSOONHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c28-21(26-17-7-4-8-18(15-17)27-14-6-12-22(27)29)16-31-24(30)20-11-5-13-25-23(20)32-19-9-2-1-3-10-19/h1-5,7-11,13,15H,6,12,14,16H2,(H,26,28).
What are the key properties of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate?
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate has a molecular weight of 431.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 36609935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).