5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride

C21H24ClN3O3 — CID 71284870

IUPAC5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(C1CCCN1)n2C.Cl
InChIInChI=1S/C21H23N3O3.ClH/c1-3-12-10-15(21(26)27)20(25)23-19(12)13-6-7-17-14(9-13)11-18(24(17)2)16-5-4-8-22-16;/h6-7,9-11,16,22H,3-5,8H2,1-2H3,(H,23,25)(H,26,27);1H
InChIKeyHDWJONVAVFCZDV-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.64
Rot. Bonds4

About 5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride

5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (PubChem CID 71284870) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
PubChem CID71284870
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(C1CCCN1)n2C.Cl
InChIInChI=1S/C21H23N3O3.ClH/c1-3-12-10-15(21(26)27)20(25)23-19(12)13-6-7-17-14(9-13)11-18(24(17)2)16-5-4-8-22-16;/h6-7,9-11,16,22H,3-5,8H2,1-2H3,(H,23,25)(H,26,27);1H
InChIKeyHDWJONVAVFCZDV-UHFFFAOYSA-N
XLogP3.64
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (CID 71284870) is 5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(C1CCCN1)n2C.Cl.
What is the InChIKey of 5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is HDWJONVAVFCZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3.ClH/c1-3-12-10-15(21(26)27)20(25)23-19(12)13-6-7-17-14(9-13)11-18(24(17)2)16-5-4-8-22-16;/h6-7,9-11,16,22H,3-5,8H2,1-2H3,(H,23,25)(H,26,27);1H.
What are the key properties of 5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 401.89 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(1-methyl-2-pyrrolidin-2-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 71284870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).