5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one

C18H24N2O3 — CID 127049282

IUPAC5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one
SMILESCOc1cc(-c2cc(C)c(=O)n(C)c2)c(OC)cc1CN(C)C
InChIInChI=1S/C18H24N2O3/c1-12-7-13(11-20(4)18(12)21)15-9-16(22-5)14(10-19(2)3)8-17(15)23-6/h7-9,11H,10H2,1-6H3
InChIKeyXMMYKSBVHQUMCL-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.44
Rot. Bonds5

About 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one

5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one (PubChem CID 127049282) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one
PubChem CID127049282
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one
SMILESCOc1cc(-c2cc(C)c(=O)n(C)c2)c(OC)cc1CN(C)C
InChIInChI=1S/C18H24N2O3/c1-12-7-13(11-20(4)18(12)21)15-9-16(22-5)14(10-19(2)3)8-17(15)23-6/h7-9,11H,10H2,1-6H3
InChIKeyXMMYKSBVHQUMCL-UHFFFAOYSA-N
XLogP2.44
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one (CID 127049282) is 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one is COc1cc(-c2cc(C)c(=O)n(C)c2)c(OC)cc1CN(C)C.
What is the InChIKey of 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is XMMYKSBVHQUMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-7-13(11-20(4)18(12)21)15-9-16(22-5)14(10-19(2)3)8-17(15)23-6/h7-9,11H,10H2,1-6H3.
What are the key properties of 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one?
5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 127049282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).