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

C19H22ClN3O4 — CID 118951710

IUPAC5-ethyl-4-hydroxy-6-[2-[1-(methylamino)ethyl]-1H-indol-6-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCCc1c(-c2ccc3cc(C(C)NC)[nH]c3c2)[nH]c(=O)c(C(=O)O)c1O.Cl
InChIInChI=1S/C19H21N3O4.ClH/c1-4-12-16(22-18(24)15(17(12)23)19(25)26)11-6-5-10-7-13(9(2)20-3)21-14(10)8-11;/h5-9,20-21H,4H2,1-3H3,(H,25,26)(H2,22,23,24);1H
InChIKeyYMRLCDHJWPHDAS-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.19
Rot. Bonds5

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

5-ethyl-4-hydroxy-6-[2-[1-(methylamino)ethyl]-1H-indol-6-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (PubChem CID 118951710) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-[2-[1-(methylamino)ethyl]-1H-indol-6-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-6-[2-[1-(methylamino)ethyl]-1H-indol-6-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
PubChem CID118951710
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC Name5-ethyl-4-hydroxy-6-[2-[1-(methylamino)ethyl]-1H-indol-6-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCCc1c(-c2ccc3cc(C(C)NC)[nH]c3c2)[nH]c(=O)c(C(=O)O)c1O.Cl
InChIInChI=1S/C19H21N3O4.ClH/c1-4-12-16(22-18(24)15(17(12)23)19(25)26)11-6-5-10-7-13(9(2)20-3)21-14(10)8-11;/h5-9,20-21H,4H2,1-3H3,(H,25,26)(H2,22,23,24);1H
InChIKeyYMRLCDHJWPHDAS-UHFFFAOYSA-N
XLogP3.19
TPSA118.21 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-[2-[1-(methylamino)ethyl]-1H-indol-6-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 5-ethyl-4-hydroxy-6-[2-[1-(methylamino)ethyl]-1H-indol-6-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (CID 118951710) is 5-ethyl-4-hydroxy-6-[2-[1-(methylamino)ethyl]-1H-indol-6-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-ethyl-4-hydroxy-6-[2-[1-(methylamino)ethyl]-1H-indol-6-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 5-ethyl-4-hydroxy-6-[2-[1-(methylamino)ethyl]-1H-indol-6-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is CCc1c(-c2ccc3cc(C(C)NC)[nH]c3c2)[nH]c(=O)c(C(=O)O)c1O.Cl.
What is the InChIKey of 5-ethyl-4-hydroxy-6-[2-[1-(methylamino)ethyl]-1H-indol-6-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is YMRLCDHJWPHDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4.ClH/c1-4-12-16(22-18(24)15(17(12)23)19(25)26)11-6-5-10-7-13(9(2)20-3)21-14(10)8-11;/h5-9,20-21H,4H2,1-3H3,(H,25,26)(H2,22,23,24);1H.
What are the key properties of 5-ethyl-4-hydroxy-6-[2-[1-(methylamino)ethyl]-1H-indol-6-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
5-ethyl-4-hydroxy-6-[2-[1-(methylamino)ethyl]-1H-indol-6-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 391.86 g/mol, XLogP of 3.19, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-6-[2-[1-(methylamino)ethyl]-1H-indol-6-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 118951710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).