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

C15H16N2O4 — CID 71281801

IUPAC6-[4-(dimethylamino)phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc(N(C)C)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C15H16N2O4/c1-8-12(9-4-6-10(7-5-9)17(2)3)16-14(19)11(13(8)18)15(20)21/h4-7H,1-3H3,(H,20,21)(H2,16,18,19)
InChIKeyJEDICELMCVGAPA-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.82
Rot. Bonds3

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

6-[4-(dimethylamino)phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281801) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71281801
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name6-[4-(dimethylamino)phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc(N(C)C)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C15H16N2O4/c1-8-12(9-4-6-10(7-5-9)17(2)3)16-14(19)11(13(8)18)15(20)21/h4-7H,1-3H3,(H,20,21)(H2,16,18,19)
InChIKeyJEDICELMCVGAPA-UHFFFAOYSA-N
XLogP1.82
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281801) is 6-[4-(dimethylamino)phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is Cc1c(-c2ccc(N(C)C)cc2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is JEDICELMCVGAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-8-12(9-4-6-10(7-5-9)17(2)3)16-14(19)11(13(8)18)15(20)21/h4-7H,1-3H3,(H,20,21)(H2,16,18,19).
What are the key properties of 6-[4-(dimethylamino)phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
6-[4-(dimethylamino)phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).