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

C35H34N4O8 — CID 71285137

IUPAC5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(ccn3C)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2CCO)c1
InChIInChI=1S/C18H18N2O4.C17H16N2O4/c1-2-11-10-14(18(23)24)17(22)19-16(11)13-3-4-15-12(9-13)5-6-20(15)7-8-21;1-3-11-14(18-16(21)13(15(11)20)17(22)23)10-4-5-12-9(8-10)6-7-19(12)2/h3-6,9-10,21H,2,7-8H2,1H3,(H,19,22)(H,23,24);4-8H,3H2,1-2H3,(H,22,23)(H2,18,20,21)
InChIKeyDOUUXBMZKHWQBB-UHFFFAOYSA-N
MW638.68 g/mol
LogP4.75
Rot. Bonds8

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

5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71285137) has the molecular formula C35H34N4O8 and a molecular weight of 638.68 g/mol. Its IUPAC name is 5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71285137
Molecular FormulaC35H34N4O8
Molecular Weight638.68 g/mol
Exact Mass638.24
IUPAC Name5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(ccn3C)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2CCO)c1
InChIInChI=1S/C18H18N2O4.C17H16N2O4/c1-2-11-10-14(18(23)24)17(22)19-16(11)13-3-4-15-12(9-13)5-6-20(15)7-8-21;1-3-11-14(18-16(21)13(15(11)20)17(22)23)10-4-5-12-9(8-10)6-7-19(12)2/h3-6,9-10,21H,2,7-8H2,1H3,(H,19,22)(H,23,24);4-8H,3H2,1-2H3,(H,22,23)(H2,18,20,21)
InChIKeyDOUUXBMZKHWQBB-UHFFFAOYSA-N
XLogP4.75
TPSA190.64 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.68
LogP ≤ 54.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 71285137) is 5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(ccn3C)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2CCO)c1.
What is the InChIKey of 5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is DOUUXBMZKHWQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4.C17H16N2O4/c1-2-11-10-14(18(23)24)17(22)19-16(11)13-3-4-15-12(9-13)5-6-20(15)7-8-21;1-3-11-14(18-16(21)13(15(11)20)17(22)23)10-4-5-12-9(8-10)6-7-19(12)2/h3-6,9-10,21H,2,7-8H2,1H3,(H,19,22)(H,23,24);4-8H,3H2,1-2H3,(H,22,23)(H2,18,20,21).
What are the key properties of 5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 638.68 g/mol, XLogP of 4.75, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71285137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).