(4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione

C24H22N2O4 — CID 108627673

IUPAC(4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
SMILESCOCCCN1C(=O)C(=O)/C(=C(\O)c2ccc3ccccc3c2)C1c1ccccn1
InChIInChI=1S/C24H22N2O4/c1-30-14-6-13-26-21(19-9-4-5-12-25-19)20(23(28)24(26)29)22(27)18-11-10-16-7-2-3-8-17(16)15-18/h2-5,7-12,15,21,27H,6,13-14H2,1H3/b22-20-
InChIKeyHUDCIZBNMHVMDI-XDOYNYLZSA-N
MW402.45 g/mol
LogP3.69
Rot. Bonds6

About (4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione

(4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione (PubChem CID 108627673) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is (4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
PubChem CID108627673
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name(4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
SMILESCOCCCN1C(=O)C(=O)/C(=C(\O)c2ccc3ccccc3c2)C1c1ccccn1
InChIInChI=1S/C24H22N2O4/c1-30-14-6-13-26-21(19-9-4-5-12-25-19)20(23(28)24(26)29)22(27)18-11-10-16-7-2-3-8-17(16)15-18/h2-5,7-12,15,21,27H,6,13-14H2,1H3/b22-20-
InChIKeyHUDCIZBNMHVMDI-XDOYNYLZSA-N
XLogP3.69
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-[(3,4-dichlorophenyl)-hydroxymethylidene]-1-(2-methoxyethyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108625061
(4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-[(2-methoxyphenyl)methyl]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108589038
(4Z)-4-[hydroxy-(4-methoxy-3-propan-2-ylphenyl)methylidene]-1-(2-methoxyethyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108625050
(4Z)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-1-(2-methoxyethyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108625030
(4Z)-5-(3-chloro-4-hydroxyphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
CID 108597099
(4E)-4-[(5-chloro-2,4-dimethoxyphenyl)-hydroxymethylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108627632
(4Z)-4-[hydroxy-(3-propoxyphenyl)methylidene]-1-(2-methoxyethyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108625029
(4E)-4-[(4-chloro-2,5-dimethoxyphenyl)-hydroxymethylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108627631
(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-(2-methoxyethyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108625056
(5S)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-propan-2-yloxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 7307488
(4E)-4-[(3,5-dichloro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-propan-2-yloxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108628187
(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 7103403

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione?
The IUPAC name of (4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione (CID 108627673) is (4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione is COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc3ccccc3c2)C1c1ccccn1.
What is the InChIKey of (4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione?
The InChIKey is HUDCIZBNMHVMDI-XDOYNYLZSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-30-14-6-13-26-21(19-9-4-5-12-25-19)20(23(28)24(26)29)22(27)18-11-10-16-7-2-3-8-17(16)15-18/h2-5,7-12,15,21,27H,6,13-14H2,1H3/b22-20-.
What are the key properties of (4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione?
(4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione has a molecular weight of 402.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(3-methoxypropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 108627673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).