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

C14H16N2O3 — CID 82484402

IUPAC4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one
SMILESCOc1ccc(Cn2ccc(N)cc2=O)cc1OC
InChIInChI=1S/C14H16N2O3/c1-18-12-4-3-10(7-13(12)19-2)9-16-6-5-11(15)8-14(16)17/h3-8H,9,15H2,1-2H3
InChIKeyGWSLRSKANBPXFZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.50
Rot. Bonds4

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

4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one (PubChem CID 82484402) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one
PubChem CID82484402
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one
SMILESCOc1ccc(Cn2ccc(N)cc2=O)cc1OC
InChIInChI=1S/C14H16N2O3/c1-18-12-4-3-10(7-13(12)19-2)9-16-6-5-11(15)8-14(16)17/h3-8H,9,15H2,1-2H3
InChIKeyGWSLRSKANBPXFZ-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one
CID 82480154
5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one
CID 79355225
1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one
CID 43111801
3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 63812375
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 113232235
5-[(3,4-dimethoxyphenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103990875
1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-5-amine
CID 62506051
1-[(3,4-dimethoxyphenyl)methyl]pyrrole-2-carbaldehyde
CID 43555151
1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82901962
1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 28516966
1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one
CID 62962113
methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 10638143

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one?
The IUPAC name of 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one (CID 82484402) is 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one?
The canonical SMILES for 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one is COc1ccc(Cn2ccc(N)cc2=O)cc1OC.
What is the InChIKey of 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one?
The InChIKey is GWSLRSKANBPXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-12-4-3-10(7-13(12)19-2)9-16-6-5-11(15)8-14(16)17/h3-8H,9,15H2,1-2H3.
What are the key properties of 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one?
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one has a molecular weight of 260.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 82484402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).