3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one

C21H31N3O — CID 134920997

IUPAC3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one
SMILESCCN(CC)c1cn(C)c(=O)c(Cc2ccccc2)c1N(CC)CC
InChIInChI=1S/C21H31N3O/c1-6-23(7-2)19-16-22(5)21(25)18(20(19)24(8-3)9-4)15-17-13-11-10-12-14-17/h10-14,16H,6-9,15H2,1-5H3
InChIKeyBASWIGADGMVVHS-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.67
Rot. Bonds8

About 3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one

3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one (PubChem CID 134920997) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one
PubChem CID134920997
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one
SMILESCCN(CC)c1cn(C)c(=O)c(Cc2ccccc2)c1N(CC)CC
InChIInChI=1S/C21H31N3O/c1-6-23(7-2)19-16-22(5)21(25)18(20(19)24(8-3)9-4)15-17-13-11-10-12-14-17/h10-14,16H,6-9,15H2,1-5H3
InChIKeyBASWIGADGMVVHS-UHFFFAOYSA-N
XLogP3.67
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-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

Related Compounds

3-benzyl-4,5-bis(diethylamino)-6-ethylsulfanyl-1-methylpyridin-2-one
CID 134920731
5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-2,6-dioxopyrimidin-4-olate
CID 134118669
5-[ethyl-[(2-iodophenyl)methyl]amino]-1,3-dimethylpyrimidine-2,4-dione
CID 135078241
N,N-diethylaniline
CID 7061
5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one
CID 154085346
3-benzyl-4-ethyl-1-methylpyrazole
CID 121277938
9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine
CID 14265487
5,6-dibenzyl-1,3-dihexylpyrimidine-2,4-dione
CID 142656477
benzylbenzene;ethane;methanamine
CID 54117827
4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one
CID 3529139
4-(diethylamino)-1-methylquinolin-2-one
CID 121227285
3-benzyl-1-methylquinolin-4-one
CID 10988673

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one?
The IUPAC name of 3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one (CID 134920997) is 3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one.
What is the SMILES notation for 3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one?
The canonical SMILES for 3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one is CCN(CC)c1cn(C)c(=O)c(Cc2ccccc2)c1N(CC)CC.
What is the InChIKey of 3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one?
The InChIKey is BASWIGADGMVVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-6-23(7-2)19-16-22(5)21(25)18(20(19)24(8-3)9-4)15-17-13-11-10-12-14-17/h10-14,16H,6-9,15H2,1-5H3.
What are the key properties of 3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one?
3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one has a molecular weight of 341.50 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4,5-bis(diethylamino)-1-methylpyridin-2-one is sourced from PubChem (CID 134920997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).