1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one

C19H26N2O — CID 82520022

IUPAC1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one
SMILESCCC(C)n1c(-c2ccc(C)c(C)c2)ccc(CNC)c1=O
InChIInChI=1S/C19H26N2O/c1-6-15(4)21-18(10-9-17(12-20-5)19(21)22)16-8-7-13(2)14(3)11-16/h7-11,15,20H,6,12H2,1-5H3
InChIKeyKPWIYJPEUPGXTN-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.82
Rot. Bonds5

About 1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one

1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one (PubChem CID 82520022) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one.

Molecular Properties

Compound Name1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one
PubChem CID82520022
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one
SMILESCCC(C)n1c(-c2ccc(C)c(C)c2)ccc(CNC)c1=O
InChIInChI=1S/C19H26N2O/c1-6-15(4)21-18(10-9-17(12-20-5)19(21)22)16-8-7-13(2)14(3)11-16/h7-11,15,20H,6,12H2,1-5H3
InChIKeyKPWIYJPEUPGXTN-UHFFFAOYSA-N
XLogP3.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520018
1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one
CID 82525099
1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517277
3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189342
1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82519817
1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82520385
6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82520080
6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519825
6-(3,4-dimethylphenyl)-4-(methylaminomethyl)-2-propylpyridazin-3-one
CID 82446687
3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520136
2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile
CID 82517316
6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one
CID 82519877

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one?
The IUPAC name of 1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one (CID 82520022) is 1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one.
What is the SMILES notation for 1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one?
The canonical SMILES for 1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one is CCC(C)n1c(-c2ccc(C)c(C)c2)ccc(CNC)c1=O.
What is the InChIKey of 1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one?
The InChIKey is KPWIYJPEUPGXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-6-15(4)21-18(10-9-17(12-20-5)19(21)22)16-8-7-13(2)14(3)11-16/h7-11,15,20H,6,12H2,1-5H3.
What are the key properties of 1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one?
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one has a molecular weight of 298.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one is sourced from PubChem (CID 82520022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).