5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid

C17H16N2O3 — CID 71284080

IUPAC5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1cn(C)c2ccccc12
InChIInChI=1S/C17H16N2O3/c1-3-10-8-12(17(21)22)16(20)18-15(10)13-9-19(2)14-7-5-4-6-11(13)14/h4-9H,3H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyBTEHQNYBTPFMRD-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.79
Rot. Bonds3

About 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71284080) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71284080
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1cn(C)c2ccccc12
InChIInChI=1S/C17H16N2O3/c1-3-10-8-12(17(21)22)16(20)18-15(10)13-9-19(2)14-7-5-4-6-11(13)14/h4-9H,3H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyBTEHQNYBTPFMRD-UHFFFAOYSA-N
XLogP2.79
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-hydroxy-6-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)-1H-pyridine-3-carboxylic acid
CID 158668151
6-(4-aminophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 89421782
6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71282056
5-(1-methylindol-3-yl)-1H-imidazole-2-carboxylic acid
CID 116884476
2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid
CID 1485807
5-ethyl-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
CID 71281835
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
CID 153181750
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
5-ethyl-1-methylindole-3-carboxylic acid
CID 82278766
ethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate
CID 68945170
4-[5-(5-carboxy-3-ethyl-6-oxo-1H-pyridin-2-yl)-1-methylindol-2-yl]butyl-methylidyneazanium
CID 163972414

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 71284080) is 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1cn(C)c2ccccc12.
What is the InChIKey of 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is BTEHQNYBTPFMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-3-10-8-12(17(21)22)16(20)18-15(10)13-9-19(2)14-7-5-4-6-11(13)14/h4-9H,3H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).