6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one

C19H26N2O — CID 82520080

IUPAC6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccc(C)c(C)c2)ccc(CNCC)c1=O
InChIInChI=1S/C19H26N2O/c1-5-11-21-18(16-8-7-14(3)15(4)12-16)10-9-17(19(21)22)13-20-6-2/h7-10,12,20H,5-6,11,13H2,1-4H3
InChIKeyZPPLBIXLWRLCFZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.65
Rot. Bonds6

About 6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one

6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one (PubChem CID 82520080) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
PubChem CID82520080
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccc(C)c(C)c2)ccc(CNCC)c1=O
InChIInChI=1S/C19H26N2O/c1-5-11-21-18(16-8-7-14(3)15(4)12-16)10-9-17(19(21)22)13-20-6-2/h7-10,12,20H,5-6,11,13H2,1-4H3
InChIKeyZPPLBIXLWRLCFZ-UHFFFAOYSA-N
XLogP3.65
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82519302
2-[6-(3,4-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82520075
3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one
CID 82525370
1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one
CID 82521163
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one
CID 82520140
3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one
CID 82466882
6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one
CID 82519877
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82519305
3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520145
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one
CID 82520022
6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one
CID 82523834
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82099746

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one?
The IUPAC name of 6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one (CID 82520080) is 6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one?
The canonical SMILES for 6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one is CCCn1c(-c2ccc(C)c(C)c2)ccc(CNCC)c1=O.
What is the InChIKey of 6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one?
The InChIKey is ZPPLBIXLWRLCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-5-11-21-18(16-8-7-14(3)15(4)12-16)10-9-17(19(21)22)13-20-6-2/h7-10,12,20H,5-6,11,13H2,1-4H3.
What are the key properties of 6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one?
6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one has a molecular weight of 298.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one is sourced from PubChem (CID 82520080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).