3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one

C15H16N2O2 — CID 82151492

IUPAC3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one
SMILESCC(=O)c1ccc(C)n(Cc2ccc(N)cc2)c1=O
InChIInChI=1S/C15H16N2O2/c1-10-3-8-14(11(2)18)15(19)17(10)9-12-4-6-13(16)7-5-12/h3-8H,9,16H2,1-2H3
InChIKeyNJEHNQJOUIDZCP-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.99
Rot. Bonds3

About 3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one

3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one (PubChem CID 82151492) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one
PubChem CID82151492
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one
SMILESCC(=O)c1ccc(C)n(Cc2ccc(N)cc2)c1=O
InChIInChI=1S/C15H16N2O2/c1-10-3-8-14(11(2)18)15(19)17(10)9-12-4-6-13(16)7-5-12/h3-8H,9,16H2,1-2H3
InChIKeyNJEHNQJOUIDZCP-UHFFFAOYSA-N
XLogP1.99
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one?
The IUPAC name of 3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one (CID 82151492) is 3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one is CC(=O)c1ccc(C)n(Cc2ccc(N)cc2)c1=O.
What is the InChIKey of 3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one?
The InChIKey is NJEHNQJOUIDZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-3-8-14(11(2)18)15(19)17(10)9-12-4-6-13(16)7-5-12/h3-8H,9,16H2,1-2H3.
What are the key properties of 3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one?
3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one is sourced from PubChem (CID 82151492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).