4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid

C24H22N2O5 — CID 90976243

IUPAC4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCOc1ccc(C2CC(=O)N(c3ccnc(C(=O)O)c3)C2)cc1OCc1ccccc1
InChIInChI=1S/C24H22N2O5/c1-30-21-8-7-17(11-22(21)31-15-16-5-3-2-4-6-16)18-12-23(27)26(14-18)19-9-10-25-20(13-19)24(28)29/h2-11,13,18H,12,14-15H2,1H3,(H,28,29)
InChIKeyAMDRJWMZFVDWNR-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.89
Rot. Bonds7

About 4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid

4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 90976243) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID90976243
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCOc1ccc(C2CC(=O)N(c3ccnc(C(=O)O)c3)C2)cc1OCc1ccccc1
InChIInChI=1S/C24H22N2O5/c1-30-21-8-7-17(11-22(21)31-15-16-5-3-2-4-6-16)18-12-23(27)26(14-18)19-9-10-25-20(13-19)24(28)29/h2-11,13,18H,12,14-15H2,1H3,(H,28,29)
InChIKeyAMDRJWMZFVDWNR-UHFFFAOYSA-N
XLogP3.89
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide
CID 70950341
N-benzyl-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3596546
1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one
CID 155170009
1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one
CID 10248588
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
4-[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid
CID 19002271
8-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydroisochromen-1-one
CID 11047051
(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1192679
1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 14537163
4-methoxy-N-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]benzamide
CID 124636540
4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid
CID 70366402
4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 168686329

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 90976243) is 4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid is COc1ccc(C2CC(=O)N(c3ccnc(C(=O)O)c3)C2)cc1OCc1ccccc1.
What is the InChIKey of 4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is AMDRJWMZFVDWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-30-21-8-7-17(11-22(21)31-15-16-5-3-2-4-6-16)18-12-23(27)26(14-18)19-9-10-25-20(13-19)24(28)29/h2-11,13,18H,12,14-15H2,1H3,(H,28,29).
What are the key properties of 4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid?
4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 418.45 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 90976243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).