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

C19H26N2O3 — CID 127048257

IUPAC5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one
SMILESCOc1cc(-c2cn(C)c(=O)c(C)c2C)c(OC)cc1CN(C)C
InChIInChI=1S/C19H26N2O3/c1-12-13(2)19(22)21(5)11-16(12)15-9-17(23-6)14(10-20(3)4)8-18(15)24-7/h8-9,11H,10H2,1-7H3
InChIKeyHVCMKCFFIPJAMM-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.75
Rot. Bonds5

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

5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one (PubChem CID 127048257) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one
PubChem CID127048257
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one
SMILESCOc1cc(-c2cn(C)c(=O)c(C)c2C)c(OC)cc1CN(C)C
InChIInChI=1S/C19H26N2O3/c1-12-13(2)19(22)21(5)11-16(12)15-9-17(23-6)14(10-20(3)4)8-18(15)24-7/h8-9,11H,10H2,1-7H3
InChIKeyHVCMKCFFIPJAMM-UHFFFAOYSA-N
XLogP2.75
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.75
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]-1,3,4-trimethylpyridin-2-one?
The IUPAC name of 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one (CID 127048257) is 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one.
What is the SMILES notation for 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one?
The canonical SMILES for 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one is COc1cc(-c2cn(C)c(=O)c(C)c2C)c(OC)cc1CN(C)C.
What is the InChIKey of 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one?
The InChIKey is HVCMKCFFIPJAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12-13(2)19(22)21(5)11-16(12)15-9-17(23-6)14(10-20(3)4)8-18(15)24-7/h8-9,11H,10H2,1-7H3.
What are the key properties of 5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one?
5-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.75, 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]-1,3,4-trimethylpyridin-2-one is sourced from PubChem (CID 127048257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).