1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide

C21H25N3O5 — CID 55635306

IUPAC1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)Nc2ccc(OCCOC)nc2)CC1=O
InChIInChI=1S/C21H25N3O5/c1-3-28-18-7-5-4-6-17(18)24-14-15(12-20(24)25)21(26)23-16-8-9-19(22-13-16)29-11-10-27-2/h4-9,13,15H,3,10-12,14H2,1-2H3,(H,23,26)
InChIKeyHUEXKDBBSVAMIB-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.50
Rot. Bonds9

About 1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide

1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55635306) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55635306
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)Nc2ccc(OCCOC)nc2)CC1=O
InChIInChI=1S/C21H25N3O5/c1-3-28-18-7-5-4-6-17(18)24-14-15(12-20(24)25)21(26)23-16-8-9-19(22-13-16)29-11-10-27-2/h4-9,13,15H,3,10-12,14H2,1-2H3,(H,23,26)
InChIKeyHUEXKDBBSVAMIB-UHFFFAOYSA-N
XLogP2.50
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 32838691
1-(2-ethoxyphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188193
N-[4-(difluoromethoxy)phenyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78594673
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 30182120
N-(3-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886180
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
(3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245448
1-(2-ethoxyphenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886195
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51334513
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
(3R)-1-(2-ethoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26087224

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide (CID 55635306) is 1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)Nc2ccc(OCCOC)nc2)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HUEXKDBBSVAMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-3-28-18-7-5-4-6-17(18)24-14-15(12-20(24)25)21(26)23-16-8-9-19(22-13-16)29-11-10-27-2/h4-9,13,15H,3,10-12,14H2,1-2H3,(H,23,26).
What are the key properties of 1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55635306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).