5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

C19H21N3O4 — CID 71284627

IUPAC5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)cc(CNC)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C19H21N3O4/c1-4-13-16(21-18(24)15(17(13)23)19(25)26)10-5-6-14-11(7-10)8-12(9-20-2)22(14)3/h5-8,20H,4,9H2,1-3H3,(H,25,26)(H2,21,23,24)
InChIKeyRNUUDMJMMZRKQI-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.22
Rot. Bonds5

About 5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71284627) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71284627
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)cc(CNC)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C19H21N3O4/c1-4-13-16(21-18(24)15(17(13)23)19(25)26)10-5-6-14-11(7-10)8-12(9-20-2)22(14)3/h5-8,20H,4,9H2,1-3H3,(H,25,26)(H2,21,23,24)
InChIKeyRNUUDMJMMZRKQI-UHFFFAOYSA-N
XLogP2.22
TPSA107.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 71284627) is 5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)cc(CNC)n3C)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is RNUUDMJMMZRKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-4-13-16(21-18(24)15(17(13)23)19(25)26)10-5-6-14-11(7-10)8-12(9-20-2)22(14)3/h5-8,20H,4,9H2,1-3H3,(H,25,26)(H2,21,23,24).
What are the key properties of 5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).