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

C25H17N3O3 — CID 108589882

IUPAC(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2cccc3ccccc23)C(c2ccccn2)/C1=C(\O)c1ccncc1
InChIInChI=1S/C25H17N3O3/c29-23(17-11-14-26-15-12-17)21-22(19-9-3-4-13-27-19)28(25(31)24(21)30)20-10-5-7-16-6-1-2-8-18(16)20/h1-15,22,29H/b23-21+
InChIKeyVJSTXUCWDKREBT-XTQSDGFTSA-N
MW407.43 g/mol
LogP4.26
Rot. Bonds3

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

(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione (PubChem CID 108589882) has the molecular formula C25H17N3O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is (4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione
PubChem CID108589882
Molecular FormulaC25H17N3O3
Molecular Weight407.43 g/mol
Exact Mass407.13
IUPAC Name(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2cccc3ccccc23)C(c2ccccn2)/C1=C(\O)c1ccncc1
InChIInChI=1S/C25H17N3O3/c29-23(17-11-14-26-15-12-17)21-22(19-9-3-4-13-27-19)28(25(31)24(21)30)20-10-5-7-16-6-1-2-8-18(16)20/h1-15,22,29H/b23-21+
InChIKeyVJSTXUCWDKREBT-XTQSDGFTSA-N
XLogP4.26
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[(4-chloro-3-methoxyphenyl)-hydroxymethylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108589848
(4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108589916
(4E)-4-[hydroxy-(2-methoxy-3,5-dimethylphenyl)methylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108589864
(4E)-4-[(2-chloro-5-methoxyphenyl)-hydroxymethylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108589897
(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108589928
(4E)-1-(2,3-dimethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108626099
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-naphthalen-1-yl-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108591710
(4Z)-1-(2,3-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108626121
(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-naphthalen-1-yl-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108591726
(4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677489
propyl 4-[(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-2,3-dioxo-5-pyridin-2-ylpyrrolidin-1-yl]benzoate
CID 108672618
(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-(3-methylphenyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108625576

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione?
The IUPAC name of (4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione (CID 108589882) is (4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for (4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for (4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione is O=C1C(=O)N(c2cccc3ccccc23)C(c2ccccn2)/C1=C(\O)c1ccncc1.
What is the InChIKey of (4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione?
The InChIKey is VJSTXUCWDKREBT-XTQSDGFTSA-N. The full InChI is InChI=1S/C25H17N3O3/c29-23(17-11-14-26-15-12-17)21-22(19-9-3-4-13-27-19)28(25(31)24(21)30)20-10-5-7-16-6-1-2-8-18(16)20/h1-15,22,29H/b23-21+.
What are the key properties of (4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione?
(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione has a molecular weight of 407.43 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-naphthalen-1-yl-5-pyridin-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 108589882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).