6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid

C17H19NO4 — CID 82519998

IUPAC6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
SMILESCOCCn1c(-c2ccc(C)c(C)c2)ccc(C(=O)O)c1=O
InChIInChI=1S/C17H19NO4/c1-11-4-5-13(10-12(11)2)15-7-6-14(17(20)21)16(19)18(15)8-9-22-3/h4-7,10H,8-9H2,1-3H3,(H,20,21)
InChIKeyPHLAXISYTACOSD-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.48
Rot. Bonds5

About 6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid

6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 82519998) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
PubChem CID82519998
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
SMILESCOCCn1c(-c2ccc(C)c(C)c2)ccc(C(=O)O)c1=O
InChIInChI=1S/C17H19NO4/c1-11-4-5-13(10-12(11)2)15-7-6-14(17(20)21)16(19)18(15)8-9-22-3/h4-7,10H,8-9H2,1-3H3,(H,20,21)
InChIKeyPHLAXISYTACOSD-UHFFFAOYSA-N
XLogP2.48
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-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 6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid (CID 82519998) is 6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid is COCCn1c(-c2ccc(C)c(C)c2)ccc(C(=O)O)c1=O.
What is the InChIKey of 6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is PHLAXISYTACOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11-4-5-13(10-12(11)2)15-7-6-14(17(20)21)16(19)18(15)8-9-22-3/h4-7,10H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid?
6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82519998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).