5-[[benzyl(methyl)amino]methyl]-1-ethylpyridin-2-one

C16H20N2O — CID 53191749

IUPAC5-[[benzyl(methyl)amino]methyl]-1-ethylpyridin-2-one
SMILESCCn1cc(CN(C)Cc2ccccc2)ccc1=O
InChIInChI=1S/C16H20N2O/c1-3-18-13-15(9-10-16(18)19)12-17(2)11-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3
InChIKeyZCJVNAWSDOKFEB-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.50
Rot. Bonds5

About 5-[[benzyl(methyl)amino]methyl]-1-ethylpyridin-2-one

5-[[benzyl(methyl)amino]methyl]-1-ethylpyridin-2-one (PubChem CID 53191749) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[[benzyl(methyl)amino]methyl]-1-ethylpyridin-2-one
PubChem CID53191749
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-[[benzyl(methyl)amino]methyl]-1-ethylpyridin-2-one
SMILESCCn1cc(CN(C)Cc2ccccc2)ccc1=O
InChIInChI=1S/C16H20N2O/c1-3-18-13-15(9-10-16(18)19)12-17(2)11-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3
InChIKeyZCJVNAWSDOKFEB-UHFFFAOYSA-N
XLogP2.50
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)amino]methyl]-1-ethylpyridin-2-one?
The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-1-ethylpyridin-2-one (CID 53191749) is 5-[[benzyl(methyl)amino]methyl]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-1-ethylpyridin-2-one is CCn1cc(CN(C)Cc2ccccc2)ccc1=O.
What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-1-ethylpyridin-2-one?
The InChIKey is ZCJVNAWSDOKFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-18-13-15(9-10-16(18)19)12-17(2)11-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3.
What are the key properties of 5-[[benzyl(methyl)amino]methyl]-1-ethylpyridin-2-one?
5-[[benzyl(methyl)amino]methyl]-1-ethylpyridin-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(methyl)amino]methyl]-1-ethylpyridin-2-one is sourced from PubChem (CID 53191749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).