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

C19H26N2O — CID 82519825

IUPAC6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCNCc1ccc(-c2cc(C)ccc2C)n(CC(C)C)c1=O
InChIInChI=1S/C19H26N2O/c1-13(2)12-21-18(9-8-16(11-20-5)19(21)22)17-10-14(3)6-7-15(17)4/h6-10,13,20H,11-12H2,1-5H3
InChIKeyAKHVXPWNDDOCKG-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.51
Rot. Bonds5

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

6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one (PubChem CID 82519825) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
PubChem CID82519825
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCNCc1ccc(-c2cc(C)ccc2C)n(CC(C)C)c1=O
InChIInChI=1S/C19H26N2O/c1-13(2)12-21-18(9-8-16(11-20-5)19(21)22)17-10-14(3)6-7-15(17)4/h6-10,13,20H,11-12H2,1-5H3
InChIKeyAKHVXPWNDDOCKG-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one
CID 82519877
6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519507
6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82519945
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
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one
CID 82520022
1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82519817
3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one
CID 82520754
1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 61033370
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one
CID 82525099
6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82520319

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one (CID 82519825) is 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one is CNCc1ccc(-c2cc(C)ccc2C)n(CC(C)C)c1=O.
What is the InChIKey of 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is AKHVXPWNDDOCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13(2)12-21-18(9-8-16(11-20-5)19(21)22)17-10-14(3)6-7-15(17)4/h6-10,13,20H,11-12H2,1-5H3.
What are the key properties of 6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one?
6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 298.43 g/mol, XLogP of 3.51, 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-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 82519825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).