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

C21H23N3O3 — CID 108592854

IUPAC1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)C1c1ccncc1
InChIInChI=1S/C21H23N3O3/c1-13(2)19(25)17-18(14-9-11-22-12-10-14)24(21(27)20(17)26)16-7-5-15(6-8-16)23(3)4/h5-13,18,26H,1-4H3
InChIKeyLRPMXMNJXKHGFG-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.27
Rot. Bonds5

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

1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one (PubChem CID 108592854) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
PubChem CID108592854
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)C1c1ccncc1
InChIInChI=1S/C21H23N3O3/c1-13(2)19(25)17-18(14-9-11-22-12-10-14)24(21(27)20(17)26)16-7-5-15(6-8-16)23(3)4/h5-13,18,26H,1-4H3
InChIKeyLRPMXMNJXKHGFG-UHFFFAOYSA-N
XLogP3.27
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.27
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

1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108679665
propan-2-yl 4-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]benzoate
CID 108674027
4-hydroxy-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591029
1-(4-chloro-2-methylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108593898
1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108593463
2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108581009
2-(4-tert-butylphenyl)-1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108717260
4-hydroxy-3-(2-methylpropanoyl)-1-pentyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108635042
4-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzonitrile
CID 108630365
4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626200
1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108590801
4-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-phenyl-2H-pyrrol-1-yl]benzenesulfonamide
CID 108678459

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one (CID 108592854) is 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)C1c1ccncc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The InChIKey is LRPMXMNJXKHGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13(2)19(25)17-18(14-9-11-22-12-10-14)24(21(27)20(17)26)16-7-5-15(6-8-16)23(3)4/h5-13,18,26H,1-4H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one has a molecular weight of 365.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108592854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).