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

C19H20N2O4 — CID 71284390

IUPAC5-ethyl-4-hydroxy-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)c(C)c(C)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C19H20N2O4/c1-5-12-16(20-18(23)15(17(12)22)19(24)25)11-6-7-14-13(8-11)9(2)10(3)21(14)4/h6-8H,5H2,1-4H3,(H,24,25)(H2,20,22,23)
InChIKeyYASYJFHTCIBKAV-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.12
Rot. Bonds3

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

5-ethyl-4-hydroxy-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid (PubChem CID 71284390) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid
PubChem CID71284390
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name5-ethyl-4-hydroxy-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)c(C)c(C)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C19H20N2O4/c1-5-12-16(20-18(23)15(17(12)22)19(24)25)11-6-7-14-13(8-11)9(2)10(3)21(14)4/h6-8H,5H2,1-4H3,(H,24,25)(H2,20,22,23)
InChIKeyYASYJFHTCIBKAV-UHFFFAOYSA-N
XLogP3.12
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-hydroxy-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid (CID 71284390) is 5-ethyl-4-hydroxy-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)c(C)c(C)n3C)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid?
The InChIKey is YASYJFHTCIBKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-5-12-16(20-18(23)15(17(12)22)19(24)25)11-6-7-14-13(8-11)9(2)10(3)21(14)4/h6-8H,5H2,1-4H3,(H,24,25)(H2,20,22,23).
What are the key properties of 5-ethyl-4-hydroxy-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid?
5-ethyl-4-hydroxy-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).