5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid

C17H16N2O5 — CID 71284577

IUPAC5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2cc3ccc(OC)cc3[nH]2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C17H16N2O5/c1-3-10-14(19-16(21)13(15(10)20)17(22)23)12-6-8-4-5-9(24-2)7-11(8)18-12/h4-7,18H,3H2,1-2H3,(H,22,23)(H2,19,20,21)
InChIKeyKLWQWHGYKCLESD-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.50
Rot. Bonds4

About 5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71284577) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71284577
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2cc3ccc(OC)cc3[nH]2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C17H16N2O5/c1-3-10-14(19-16(21)13(15(10)20)17(22)23)12-6-8-4-5-9(24-2)7-11(8)18-12/h4-7,18H,3H2,1-2H3,(H,22,23)(H2,19,20,21)
InChIKeyKLWQWHGYKCLESD-UHFFFAOYSA-N
XLogP2.50
TPSA115.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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
6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 118951311
5-ethyl-4-hydroxy-6-[2-[1-(methylamino)ethyl]-1H-indol-6-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 118951710
5-ethyl-4-hydroxy-6-(1H-indazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284840
5-ethyl-6-(5-fluoro-1H-indol-6-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 118951448
5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid
CID 71284551
6-[4-(diethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281794
5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one
CID 144545623
6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one
CID 144545472
6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71285127
5-ethyl-4-hydroxy-6-imidazo[1,2-a]pyridin-2-yl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284093
3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one
CID 22638606

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 71284577) is 5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2cc3ccc(OC)cc3[nH]2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is KLWQWHGYKCLESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-3-10-14(19-16(21)13(15(10)20)17(22)23)12-6-8-4-5-9(24-2)7-11(8)18-12/h4-7,18H,3H2,1-2H3,(H,22,23)(H2,19,20,21).
What are the key properties of 5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 328.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).