5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

C21H20N2O4 — CID 71282042

IUPAC5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCN(C)c1ccc(-c2[nH]c(=O)c(C(=O)O)c(O)c2Cc2ccccc2)cc1
InChIInChI=1S/C21H20N2O4/c1-23(2)15-10-8-14(9-11-15)18-16(12-13-6-4-3-5-7-13)19(24)17(21(26)27)20(25)22-18/h3-11H,12H2,1-2H3,(H,26,27)(H2,22,24,25)
InChIKeyYKPNPMKMNGJDFX-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.10
Rot. Bonds5

About 5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71282042) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71282042
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCN(C)c1ccc(-c2[nH]c(=O)c(C(=O)O)c(O)c2Cc2ccccc2)cc1
InChIInChI=1S/C21H20N2O4/c1-23(2)15-10-8-14(9-11-15)18-16(12-13-6-4-3-5-7-13)19(24)17(21(26)27)20(25)22-18/h3-11H,12H2,1-2H3,(H,26,27)(H2,22,24,25)
InChIKeyYKPNPMKMNGJDFX-UHFFFAOYSA-N
XLogP3.10
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71282042) is 5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CN(C)c1ccc(-c2[nH]c(=O)c(C(=O)O)c(O)c2Cc2ccccc2)cc1.
What is the InChIKey of 5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is YKPNPMKMNGJDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-23(2)15-10-8-14(9-11-15)18-16(12-13-6-4-3-5-7-13)19(24)17(21(26)27)20(25)22-18/h3-11H,12H2,1-2H3,(H,26,27)(H2,22,24,25).
What are the key properties of 5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71282042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).