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

C18H24N2O2 — CID 127049280

IUPAC5-[4-[(dimethylamino)methyl]-3-methoxy-5-methylphenyl]-1,3-dimethylpyridin-2-one
SMILESCOc1cc(-c2cc(C)c(=O)n(C)c2)cc(C)c1CN(C)C
InChIInChI=1S/C18H24N2O2/c1-12-7-14(9-17(22-6)16(12)11-19(3)4)15-8-13(2)18(21)20(5)10-15/h7-10H,11H2,1-6H3
InChIKeyCFVUVLLRTJBZEW-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.74
Rot. Bonds4

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

5-[4-[(dimethylamino)methyl]-3-methoxy-5-methylphenyl]-1,3-dimethylpyridin-2-one (PubChem CID 127049280) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-[4-[(dimethylamino)methyl]-3-methoxy-5-methylphenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[(dimethylamino)methyl]-3-methoxy-5-methylphenyl]-1,3-dimethylpyridin-2-one
PubChem CID127049280
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name5-[4-[(dimethylamino)methyl]-3-methoxy-5-methylphenyl]-1,3-dimethylpyridin-2-one
SMILESCOc1cc(-c2cc(C)c(=O)n(C)c2)cc(C)c1CN(C)C
InChIInChI=1S/C18H24N2O2/c1-12-7-14(9-17(22-6)16(12)11-19(3)4)15-8-13(2)18(21)20(5)10-15/h7-10H,11H2,1-6H3
InChIKeyCFVUVLLRTJBZEW-UHFFFAOYSA-N
XLogP2.74
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.74
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-methoxy-5-methylphenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[4-[(dimethylamino)methyl]-3-methoxy-5-methylphenyl]-1,3-dimethylpyridin-2-one (CID 127049280) is 5-[4-[(dimethylamino)methyl]-3-methoxy-5-methylphenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[4-[(dimethylamino)methyl]-3-methoxy-5-methylphenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[4-[(dimethylamino)methyl]-3-methoxy-5-methylphenyl]-1,3-dimethylpyridin-2-one is COc1cc(-c2cc(C)c(=O)n(C)c2)cc(C)c1CN(C)C.
What is the InChIKey of 5-[4-[(dimethylamino)methyl]-3-methoxy-5-methylphenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is CFVUVLLRTJBZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-7-14(9-17(22-6)16(12)11-19(3)4)15-8-13(2)18(21)20(5)10-15/h7-10H,11H2,1-6H3.
What are the key properties of 5-[4-[(dimethylamino)methyl]-3-methoxy-5-methylphenyl]-1,3-dimethylpyridin-2-one?
5-[4-[(dimethylamino)methyl]-3-methoxy-5-methylphenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.74, 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-methoxy-5-methylphenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 127049280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).