1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one

C16H19NO2 — CID 171525332

IUPAC1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one
SMILESCOc1ccc(C)c(Cn2cc(C)ccc2=O)c1C
InChIInChI=1S/C16H19NO2/c1-11-5-8-16(18)17(9-11)10-14-12(2)6-7-15(19-4)13(14)3/h5-9H,10H2,1-4H3
InChIKeyMJWJCKAZWFTCBM-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.83
Rot. Bonds3

About 1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one

1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one (PubChem CID 171525332) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one
PubChem CID171525332
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one
SMILESCOc1ccc(C)c(Cn2cc(C)ccc2=O)c1C
InChIInChI=1S/C16H19NO2/c1-11-5-8-16(18)17(9-11)10-14-12(2)6-7-15(19-4)13(14)3/h5-9H,10H2,1-4H3
InChIKeyMJWJCKAZWFTCBM-UHFFFAOYSA-N
XLogP2.83
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one
CID 171525323
1-(iodomethyl)-5-methylpyridin-2-one
CID 148677091
N-(2,5-dimethoxyphenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671505
5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one
CID 79785107
N-(2-methoxy-5-methylphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697109
1-[(2,5-dimethylphenyl)methyl]-N-(3-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671473
1-(2-methoxyphenyl)-5-methylpyridin-2-one
CID 11957010
N-(3,4-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671500
5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one
CID 79355225
1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one
CID 118907167
N-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382687
N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697069

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one?
The IUPAC name of 1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one (CID 171525332) is 1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one.
What is the SMILES notation for 1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one?
The canonical SMILES for 1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one is COc1ccc(C)c(Cn2cc(C)ccc2=O)c1C.
What is the InChIKey of 1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one?
The InChIKey is MJWJCKAZWFTCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-5-8-16(18)17(9-11)10-14-12(2)6-7-15(19-4)13(14)3/h5-9H,10H2,1-4H3.
What are the key properties of 1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one?
1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one has a molecular weight of 257.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one is sourced from PubChem (CID 171525332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).