5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one

C15H18N2O3 — CID 79355225

IUPAC5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one
SMILESCOc1ccc(Cn2cc(N)c(C)cc2=O)cc1OC
InChIInChI=1S/C15H18N2O3/c1-10-6-15(18)17(9-12(10)16)8-11-4-5-13(19-2)14(7-11)20-3/h4-7,9H,8,16H2,1-3H3
InChIKeyCWTFWAVYSGWKCX-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.80
Rot. Bonds4

About 5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one

5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one (PubChem CID 79355225) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one
PubChem CID79355225
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one
SMILESCOc1ccc(Cn2cc(N)c(C)cc2=O)cc1OC
InChIInChI=1S/C15H18N2O3/c1-10-6-15(18)17(9-12(10)16)8-11-4-5-13(19-2)14(7-11)20-3/h4-7,9H,8,16H2,1-3H3
InChIKeyCWTFWAVYSGWKCX-UHFFFAOYSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one
CID 79355957
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484402
1-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridin-2-one
CID 28510606
5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 103172820
1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 28516966
methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 10638143
5-amino-1-[(3-bromo-5-fluorophenyl)methyl]-4-methylpyridin-2-one
CID 79710365
1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one
CID 43111801
5-amino-1-[(2,6-difluorophenyl)methyl]-4-methylpyridin-2-one
CID 114930189
4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one
CID 82480154
3-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 54970847
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 107345092

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one (CID 79355225) is 5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one is COc1ccc(Cn2cc(N)c(C)cc2=O)cc1OC.
What is the InChIKey of 5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one?
The InChIKey is CWTFWAVYSGWKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-6-15(18)17(9-12(10)16)8-11-4-5-13(19-2)14(7-11)20-3/h4-7,9H,8,16H2,1-3H3.
What are the key properties of 5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one?
5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 79355225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).