5-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one

C17H20N2O — CID 139258731

IUPAC5-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one
SMILESCC1=CN(CCc2c[nH]c3c(C)cccc23)C(=O)CC1
InChIInChI=1S/C17H20N2O/c1-12-6-7-16(20)19(11-12)9-8-14-10-18-17-13(2)4-3-5-15(14)17/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyHKOYLGHMZOPAEO-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.55
Rot. Bonds3

About 5-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one

5-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one (PubChem CID 139258731) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name5-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one
PubChem CID139258731
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name5-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one
SMILESCC1=CN(CCc2c[nH]c3c(C)cccc23)C(=O)CC1
InChIInChI=1S/C17H20N2O/c1-12-6-7-16(20)19(11-12)9-8-14-10-18-17-13(2)4-3-5-15(14)17/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyHKOYLGHMZOPAEO-UHFFFAOYSA-N
XLogP3.55
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-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-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one?
The IUPAC name of 5-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one (CID 139258731) is 5-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one.
What is the SMILES notation for 5-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one?
The canonical SMILES for 5-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one is CC1=CN(CCc2c[nH]c3c(C)cccc23)C(=O)CC1.
What is the InChIKey of 5-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one?
The InChIKey is HKOYLGHMZOPAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-6-7-16(20)19(11-12)9-8-14-10-18-17-13(2)4-3-5-15(14)17/h3-5,10-11,18H,6-9H2,1-2H3.
What are the key properties of 5-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one?
5-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one is sourced from PubChem (CID 139258731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).