5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C30H30N2O9 — CID 158113496

IUPAC5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(OC)cc2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(OC)cc1
InChIInChI=1S/C15H15NO5.C15H15NO4/c1-3-10-12(8-4-6-9(21-2)7-5-8)16-14(18)11(13(10)17)15(19)20;1-3-9-8-12(15(18)19)14(17)16-13(9)10-4-6-11(20-2)7-5-10/h4-7H,3H2,1-2H3,(H,19,20)(H2,16,17,18);4-8H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFQSKZPQSTMKDDN-UHFFFAOYSA-N
MW562.58 g/mol
LogP4.33
Rot. Bonds8

About 5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 158113496) has the molecular formula C30H30N2O9 and a molecular weight of 562.58 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID158113496
Molecular FormulaC30H30N2O9
Molecular Weight562.58 g/mol
Exact Mass562.20
IUPAC Name5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(OC)cc2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(OC)cc1
InChIInChI=1S/C15H15NO5.C15H15NO4/c1-3-10-12(8-4-6-9(21-2)7-5-8)16-14(18)11(13(10)17)15(19)20;1-3-9-8-12(15(18)19)14(17)16-13(9)10-4-6-11(20-2)7-5-10/h4-7H,3H2,1-2H3,(H,19,20)(H2,16,17,18);4-8H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFQSKZPQSTMKDDN-UHFFFAOYSA-N
XLogP4.33
TPSA179.01 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.58
LogP ≤ 54.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 158113496) is 5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(OC)cc2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(OC)cc1.
What is the InChIKey of 5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is FQSKZPQSTMKDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5.C15H15NO4/c1-3-10-12(8-4-6-9(21-2)7-5-8)16-14(18)11(13(10)17)15(19)20;1-3-9-8-12(15(18)19)14(17)16-13(9)10-4-6-11(20-2)7-5-10/h4-7H,3H2,1-2H3,(H,19,20)(H2,16,17,18);4-8H,3H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 562.58 g/mol, XLogP of 4.33, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 158113496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).