5-ethyl-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one

C19H22N2O — CID 144545870

IUPAC5-ethyl-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one
SMILESCCc1cc(C)c(=O)[nH]c1-c1ccc2c(c1)c(C)c(C)n2C
InChIInChI=1S/C19H22N2O/c1-6-14-9-11(2)19(22)20-18(14)15-7-8-17-16(10-15)12(3)13(4)21(17)5/h7-10H,6H2,1-5H3,(H,20,22)
InChIKeyWATIZNMOTSTPQM-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.02
Rot. Bonds2

About 5-ethyl-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one

5-ethyl-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one (PubChem CID 144545870) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-ethyl-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one
PubChem CID144545870
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name5-ethyl-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one
SMILESCCc1cc(C)c(=O)[nH]c1-c1ccc2c(c1)c(C)c(C)n2C
InChIInChI=1S/C19H22N2O/c1-6-14-9-11(2)19(22)20-18(14)15-7-8-17-16(10-15)12(3)13(4)21(17)5/h7-10H,6H2,1-5H3,(H,20,22)
InChIKeyWATIZNMOTSTPQM-UHFFFAOYSA-N
XLogP4.02
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-ethyl-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one 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-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 5-ethyl-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one (CID 144545870) is 5-ethyl-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-ethyl-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-ethyl-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one is CCc1cc(C)c(=O)[nH]c1-c1ccc2c(c1)c(C)c(C)n2C.
What is the InChIKey of 5-ethyl-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one?
The InChIKey is WATIZNMOTSTPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-6-14-9-11(2)19(22)20-18(14)15-7-8-17-16(10-15)12(3)13(4)21(17)5/h7-10H,6H2,1-5H3,(H,20,22).
What are the key properties of 5-ethyl-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one?
5-ethyl-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one has a molecular weight of 294.40 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-6-(1,2,3-trimethylindol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 144545870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).