6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one

C18H24N2O — CID 82519877

IUPAC6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2cc(C)ccc2C)ccc(CNC)c1=O
InChIInChI=1S/C18H24N2O/c1-5-10-20-17(9-8-15(12-19-4)18(20)21)16-11-13(2)6-7-14(16)3/h6-9,11,19H,5,10,12H2,1-4H3
InChIKeyZNJFCQPMVDGRBD-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.26
Rot. Bonds5

About 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one

6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one (PubChem CID 82519877) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one
PubChem CID82519877
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2cc(C)ccc2C)ccc(CNC)c1=O
InChIInChI=1S/C18H24N2O/c1-5-10-20-17(9-8-15(12-19-4)18(20)21)16-11-13(2)6-7-14(16)3/h6-9,11,19H,5,10,12H2,1-4H3
InChIKeyZNJFCQPMVDGRBD-UHFFFAOYSA-N
XLogP3.26
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519825
2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82519871
1-butyl-3-(chloromethyl)-6-(2,5-dimethylphenyl)pyridin-2-one
CID 82519834
3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one
CID 82520275
6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one
CID 82519868
3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one
CID 82520754
1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82519838
6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82520080
1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82520240
6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82519945
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
CID 82520208
5-(2,5-dimethylphenyl)-2-methyl-1-propylpyrrole-3-carboxylic acid
CID 82093262

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one?
The IUPAC name of 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one (CID 82519877) is 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one.
What is the SMILES notation for 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one?
The canonical SMILES for 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one is CCCn1c(-c2cc(C)ccc2C)ccc(CNC)c1=O.
What is the InChIKey of 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one?
The InChIKey is ZNJFCQPMVDGRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-10-20-17(9-8-15(12-19-4)18(20)21)16-11-13(2)6-7-14(16)3/h6-9,11,19H,5,10,12H2,1-4H3.
What are the key properties of 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one?
6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one is sourced from PubChem (CID 82519877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).