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

C15H18N2O — CID 79355018

IUPAC5-amino-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
SMILESCc1cc(C)cc(Cn2cc(N)c(C)cc2=O)c1
InChIInChI=1S/C15H18N2O/c1-10-4-11(2)6-13(5-10)8-17-9-14(16)12(3)7-15(17)18/h4-7,9H,8,16H2,1-3H3
InChIKeyDJPRQYMBQMDEDM-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.40
Rot. Bonds2

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

5-amino-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one (PubChem CID 79355018) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-amino-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
PubChem CID79355018
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-amino-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
SMILESCc1cc(C)cc(Cn2cc(N)c(C)cc2=O)c1
InChIInChI=1S/C15H18N2O/c1-10-4-11(2)6-13(5-10)8-17-9-14(16)12(3)7-15(17)18/h4-7,9H,8,16H2,1-3H3
InChIKeyDJPRQYMBQMDEDM-UHFFFAOYSA-N
XLogP2.40
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 5-amino-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one (CID 79355018) is 5-amino-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one is Cc1cc(C)cc(Cn2cc(N)c(C)cc2=O)c1.
What is the InChIKey of 5-amino-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one?
The InChIKey is DJPRQYMBQMDEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-4-11(2)6-13(5-10)8-17-9-14(16)12(3)7-15(17)18/h4-7,9H,8,16H2,1-3H3.
What are the key properties of 5-amino-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one?
5-amino-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 79355018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).