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

C26H33N3O5 — CID 71281951

IUPAC5-ethyl-4-hydroxy-6-[2-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)cc(CN2CCCCC2CCOC)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C26H33N3O5/c1-4-20-23(27-25(31)22(24(20)30)26(32)33)16-8-9-21-17(13-16)14-19(28(21)2)15-29-11-6-5-7-18(29)10-12-34-3/h8-9,13-14,18H,4-7,10-12,15H2,1-3H3,(H,32,33)(H2,27,30,31)
InChIKeyXWKYBHLFOWIWIU-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.89
Rot. Bonds8

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

5-ethyl-4-hydroxy-6-[2-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281951) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-[2-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-6-[2-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71281951
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Name5-ethyl-4-hydroxy-6-[2-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)cc(CN2CCCCC2CCOC)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C26H33N3O5/c1-4-20-23(27-25(31)22(24(20)30)26(32)33)16-8-9-21-17(13-16)14-19(28(21)2)15-29-11-6-5-7-18(29)10-12-34-3/h8-9,13-14,18H,4-7,10-12,15H2,1-3H3,(H,32,33)(H2,27,30,31)
InChIKeyXWKYBHLFOWIWIU-UHFFFAOYSA-N
XLogP3.89
TPSA107.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-[2-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-hydroxy-6-[2-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281951) is 5-ethyl-4-hydroxy-6-[2-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-6-[2-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-6-[2-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)cc(CN2CCCCC2CCOC)n3C)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-6-[2-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is XWKYBHLFOWIWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-4-20-23(27-25(31)22(24(20)30)26(32)33)16-8-9-21-17(13-16)14-19(28(21)2)15-29-11-6-5-7-18(29)10-12-34-3/h8-9,13-14,18H,4-7,10-12,15H2,1-3H3,(H,32,33)(H2,27,30,31).
What are the key properties of 5-ethyl-4-hydroxy-6-[2-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-4-hydroxy-6-[2-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 467.57 g/mol, XLogP of 3.89, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-6-[2-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).