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

C17H22N2O2 — CID 127050492

IUPAC5-[4-[(dimethylamino)methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one
SMILESCOc1cc(-c2cc(C)c(=O)n(C)c2)ccc1CN(C)C
InChIInChI=1S/C17H22N2O2/c1-12-8-15(11-19(4)17(12)20)13-6-7-14(10-18(2)3)16(9-13)21-5/h6-9,11H,10H2,1-5H3
InChIKeyXNJCJFLRIDESMS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.43
Rot. Bonds4

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

5-[4-[(dimethylamino)methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one (PubChem CID 127050492) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[4-[(dimethylamino)methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[(dimethylamino)methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one
PubChem CID127050492
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-[4-[(dimethylamino)methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one
SMILESCOc1cc(-c2cc(C)c(=O)n(C)c2)ccc1CN(C)C
InChIInChI=1S/C17H22N2O2/c1-12-8-15(11-19(4)17(12)20)13-6-7-14(10-18(2)3)16(9-13)21-5/h6-9,11H,10H2,1-5H3
InChIKeyXNJCJFLRIDESMS-UHFFFAOYSA-N
XLogP2.43
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(dimethylamino)methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[4-[(dimethylamino)methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one (CID 127050492) is 5-[4-[(dimethylamino)methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[4-[(dimethylamino)methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[4-[(dimethylamino)methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one is COc1cc(-c2cc(C)c(=O)n(C)c2)ccc1CN(C)C.
What is the InChIKey of 5-[4-[(dimethylamino)methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is XNJCJFLRIDESMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-8-15(11-19(4)17(12)20)13-6-7-14(10-18(2)3)16(9-13)21-5/h6-9,11H,10H2,1-5H3.
What are the key properties of 5-[4-[(dimethylamino)methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one?
5-[4-[(dimethylamino)methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(dimethylamino)methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 127050492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).