1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one

C22H25N3O3 — CID 108588942

IUPAC1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCN(C)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2c2ccccn2)cc1
InChIInChI=1S/C22H25N3O3/c1-22(2,3)20(27)17-18(16-8-6-7-13-23-16)25(21(28)19(17)26)15-11-9-14(10-12-15)24(4)5/h6-13,18,26H,1-5H3
InChIKeyNMWXSJQBZGXOFD-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.66
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one

1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 108588942) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID108588942
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCN(C)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2c2ccccn2)cc1
InChIInChI=1S/C22H25N3O3/c1-22(2,3)20(27)17-18(16-8-6-7-13-23-16)25(21(28)19(17)26)15-11-9-14(10-12-15)24(4)5/h6-13,18,26H,1-5H3
InChIKeyNMWXSJQBZGXOFD-UHFFFAOYSA-N
XLogP3.66
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625765
1-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626112
2-[4-[2-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]phenyl]acetic acid
CID 108706410
4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626200
1-butyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108627882
4-hydroxy-1-(4-methylphenyl)-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626461
1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108627577
1-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108638973
(4E)-4-[(5-tert-butyl-2-methylphenyl)-hydroxymethylidene]-1-[4-(dimethylamino)phenyl]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108588950
(4Z)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(naphthalen-1-yl)methylidene]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108588927
4-hydroxy-1-(4-methylphenyl)-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108626407
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-phenyl-2H-pyrrol-5-one
CID 108658876

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one (CID 108588942) is 1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one is CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2c2ccccn2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is NMWXSJQBZGXOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-22(2,3)20(27)17-18(16-8-6-7-13-23-16)25(21(28)19(17)26)15-11-9-14(10-12-15)24(4)5/h6-13,18,26H,1-5H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one?
1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 379.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108588942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).