1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one

C17H22N2O2 — CID 82518697

IUPAC1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
SMILESCNCc1ccc(-c2ccccc2OC(C)C)n(C)c1=O
InChIInChI=1S/C17H22N2O2/c1-12(2)21-16-8-6-5-7-14(16)15-10-9-13(11-18-3)17(20)19(15)4/h5-10,12,18H,11H2,1-4H3
InChIKeyICAXLZXVKQUENN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.56
Rot. Bonds5

About 1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one

1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one (PubChem CID 82518697) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
PubChem CID82518697
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
SMILESCNCc1ccc(-c2ccccc2OC(C)C)n(C)c1=O
InChIInChI=1S/C17H22N2O2/c1-12(2)21-16-8-6-5-7-14(16)15-10-9-13(11-18-3)17(20)19(15)4/h5-10,12,18H,11H2,1-4H3
InChIKeyICAXLZXVKQUENN-UHFFFAOYSA-N
XLogP2.56
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
CID 82518694
6-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one
CID 82519096
3-(chloromethyl)-1-methyl-6-(2-propoxyphenyl)pyridin-2-one
CID 82518755
1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518277
3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82467015
3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82518673
6-(2-ethoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 82518873
1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
CID 82518678
6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519507
N-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine
CID 82550302
3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one
CID 82521328
6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82517956

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one?
The IUPAC name of 1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one (CID 82518697) is 1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one is CNCc1ccc(-c2ccccc2OC(C)C)n(C)c1=O.
What is the InChIKey of 1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one?
The InChIKey is ICAXLZXVKQUENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)21-16-8-6-5-7-14(16)15-10-9-13(11-18-3)17(20)19(15)4/h5-10,12,18H,11H2,1-4H3.
What are the key properties of 1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one?
1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one is sourced from PubChem (CID 82518697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).