2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C16H16N2O6 — CID 169406417

IUPAC2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCOc1c(C)cc(C)cc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C16H16N2O6/c1-6-4-7(2)12(24-3)8(5-6)9-10(15(20)21)13(17)18-14(19)11(9)16(22)23/h4-5H,1-3H3,(H,20,21)(H,22,23)(H3,17,18,19)
InChIKeyOYTMPZDOWVETBM-UHFFFAOYSA-N
MW332.31 g/mol
LogP1.65
Rot. Bonds4

About 2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169406417) has the molecular formula C16H16N2O6 and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169406417
Molecular FormulaC16H16N2O6
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCOc1c(C)cc(C)cc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C16H16N2O6/c1-6-4-7(2)12(24-3)8(5-6)9-10(15(20)21)13(17)18-14(19)11(9)16(22)23/h4-5H,1-3H3,(H,20,21)(H,22,23)(H3,17,18,19)
InChIKeyOYTMPZDOWVETBM-UHFFFAOYSA-N
XLogP1.65
TPSA142.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407448
2-amino-4-(2,4-dichloro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406073
2-amino-4-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405149
2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407431
2-amino-4-[4-(carboxymethyl)-2-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407730
2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407064
3-amino-4-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82485040
2-amino-4-(5-chloro-2-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406915
2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405271
2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407433
2-amino-4-(2-bromo-3-chloro-4-hydroxy-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406484
2-amino-4-(3-bromo-5-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407439

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169406417) is 2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is COc1c(C)cc(C)cc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is OYTMPZDOWVETBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6/c1-6-4-7(2)12(24-3)8(5-6)9-10(15(20)21)13(17)18-14(19)11(9)16(22)23/h4-5H,1-3H3,(H,20,21)(H,22,23)(H3,17,18,19).
What are the key properties of 2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 332.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169406417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).