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

C14H16N2O3 — CID 82484405

IUPAC5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one
SMILESCOc1ccc(Cn2cc(N)ccc2=O)c(OC)c1
InChIInChI=1S/C14H16N2O3/c1-18-12-5-3-10(13(7-12)19-2)8-16-9-11(15)4-6-14(16)17/h3-7,9H,8,15H2,1-2H3
InChIKeyIHKQRYUYTABVIY-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.50
Rot. Bonds4

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

5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one (PubChem CID 82484405) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one
PubChem CID82484405
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one
SMILESCOc1ccc(Cn2cc(N)ccc2=O)c(OC)c1
InChIInChI=1S/C14H16N2O3/c1-18-12-5-3-10(13(7-12)19-2)8-16-9-11(15)4-6-14(16)17/h3-7,9H,8,15H2,1-2H3
InChIKeyIHKQRYUYTABVIY-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

1-[(2,4-dimethoxyphenyl)methyl]benzimidazol-5-amine
CID 63362760
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
2-[(2,4-dimethoxyphenyl)methyl]-1-iminoisoquinolin-7-amine
CID 118355612
4-[2-(2,4-dimethoxyphenyl)ethyl]aniline
CID 14256033
3-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1H-imidazole-2-thione
CID 81335393
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one
CID 162772120
1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 102877143
5-bromo-1-[(5-methoxy-2-nitrophenyl)methyl]pyridin-2-one
CID 75377330
1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid
CID 123329362
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one (CID 82484405) is 5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one is COc1ccc(Cn2cc(N)ccc2=O)c(OC)c1.
What is the InChIKey of 5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one?
The InChIKey is IHKQRYUYTABVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-12-5-3-10(13(7-12)19-2)8-16-9-11(15)4-6-14(16)17/h3-7,9H,8,15H2,1-2H3.
What are the key properties of 5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one?
5-amino-1-[(2,4-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 5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 82484405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).