3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione

C21H21N3O3 — CID 110565691

IUPAC3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N2CCCC2)C(=O)N(Cc2ccncc2)C1=O
InChIInChI=1S/C21H21N3O3/c1-27-17-7-3-2-6-16(17)18-19(23-12-4-5-13-23)21(26)24(20(18)25)14-15-8-10-22-11-9-15/h2-3,6-11H,4-5,12-14H2,1H3
InChIKeyKOSHVHWDZCBEPX-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.47
Rot. Bonds5

About 3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione

3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 110565691) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID110565691
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N2CCCC2)C(=O)N(Cc2ccncc2)C1=O
InChIInChI=1S/C21H21N3O3/c1-27-17-7-3-2-6-16(17)18-19(23-12-4-5-13-23)21(26)24(20(18)25)14-15-8-10-22-11-9-15/h2-3,6-11H,4-5,12-14H2,1H3
InChIKeyKOSHVHWDZCBEPX-UHFFFAOYSA-N
XLogP2.47
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110565731
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110565590
3-(4-ethylpiperazin-1-yl)-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110565444
3-(2-methoxyphenyl)-1-octyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566520
1-[(4-chlorophenyl)methyl]-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565474
1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110565949
3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110565520
3-(4-ethylanilino)-4-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110597544
3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110563982
1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565875
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110565674
3-phenyl-4-(4-phenylpiperazin-1-yl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110559226

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 110565691) is 3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is COc1ccccc1C1=C(N2CCCC2)C(=O)N(Cc2ccncc2)C1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is KOSHVHWDZCBEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-17-7-3-2-6-16(17)18-19(23-12-4-5-13-23)21(26)24(20(18)25)14-15-8-10-22-11-9-15/h2-3,6-11H,4-5,12-14H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 363.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110565691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).