3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one

C22H19NO3 — CID 10641246

IUPAC3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one
SMILESCC(=O)c1cc(C(=O)Cc2ccccc2)c(Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C22H19NO3/c1-15(24)18-14-19(21(25)13-17-10-6-3-7-11-17)20(23-22(18)26)12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,23,26)
InChIKeyMSNKXDTXXYALNS-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.59
Rot. Bonds6

About 3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one

3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one (PubChem CID 10641246) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one
PubChem CID10641246
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one
SMILESCC(=O)c1cc(C(=O)Cc2ccccc2)c(Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C22H19NO3/c1-15(24)18-14-19(21(25)13-17-10-6-3-7-11-17)20(23-22(18)26)12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,23,26)
InChIKeyMSNKXDTXXYALNS-UHFFFAOYSA-N
XLogP3.59
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone
CID 11264383
1-(2,4-dibenzylphenyl)ethanone
CID 70182248
1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 141249588
5-acetyl-1-benzylpyrimidine-2,4-dione
CID 3334243
benzene;1-phenylpropan-2-one
CID 21430852
2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid
CID 10634935
2-(2-acetylphenyl)tellanylacetic acid
CID 12625456
1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 59088943
1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone
CID 101376754
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
1-(5-benzyl-1H-pyrrol-2-yl)ethanone
CID 156581411
2-[2-(3-acetyl-4-fluorophenyl)acetyl]benzoic acid
CID 157251929

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one?
The IUPAC name of 3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one (CID 10641246) is 3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one?
The canonical SMILES for 3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one is CC(=O)c1cc(C(=O)Cc2ccccc2)c(Cc2ccccc2)[nH]c1=O.
What is the InChIKey of 3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one?
The InChIKey is MSNKXDTXXYALNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-15(24)18-14-19(21(25)13-17-10-6-3-7-11-17)20(23-22(18)26)12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,23,26).
What are the key properties of 3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one?
3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one has a molecular weight of 345.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one is sourced from PubChem (CID 10641246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).