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

C18H18N2O4 — CID 71282073

IUPAC6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)cc(C)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C18H18N2O4/c1-4-12-15(19-17(22)14(16(12)21)18(23)24)10-5-6-13-11(8-10)7-9(2)20(13)3/h5-8H,4H2,1-3H3,(H,23,24)(H2,19,21,22)
InChIKeyZBRHVMJXBOUAJM-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.81
Rot. Bonds3

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

6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71282073) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71282073
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)cc(C)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C18H18N2O4/c1-4-12-15(19-17(22)14(16(12)21)18(23)24)10-5-6-13-11(8-10)7-9(2)20(13)3/h5-8H,4H2,1-3H3,(H,23,24)(H2,19,21,22)
InChIKeyZBRHVMJXBOUAJM-UHFFFAOYSA-N
XLogP2.81
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71282073) is 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)cc(C)n3C)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ZBRHVMJXBOUAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-4-12-15(19-17(22)14(16(12)21)18(23)24)10-5-6-13-11(8-10)7-9(2)20(13)3/h5-8H,4H2,1-3H3,(H,23,24)(H2,19,21,22).
What are the key properties of 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-dimethylindol-5-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71282073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).