3-methyl-2,6-diphenyl-1-propylpyridin-4-one

C21H21NO — CID 14517569

IUPAC3-methyl-2,6-diphenyl-1-propylpyridin-4-one
SMILESCCCn1c(-c2ccccc2)cc(=O)c(C)c1-c1ccccc1
InChIInChI=1S/C21H21NO/c1-3-14-22-19(17-10-6-4-7-11-17)15-20(23)16(2)21(22)18-12-8-5-9-13-18/h4-13,15H,3,14H2,1-2H3
InChIKeyYMLYRWXNDCHZDT-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.90
Rot. Bonds4

About 3-methyl-2,6-diphenyl-1-propylpyridin-4-one

3-methyl-2,6-diphenyl-1-propylpyridin-4-one (PubChem CID 14517569) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-methyl-2,6-diphenyl-1-propylpyridin-4-one.

Molecular Properties

Compound Name3-methyl-2,6-diphenyl-1-propylpyridin-4-one
PubChem CID14517569
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name3-methyl-2,6-diphenyl-1-propylpyridin-4-one
SMILESCCCn1c(-c2ccccc2)cc(=O)c(C)c1-c1ccccc1
InChIInChI=1S/C21H21NO/c1-3-14-22-19(17-10-6-4-7-11-17)15-20(23)16(2)21(22)18-12-8-5-9-13-18/h4-13,15H,3,14H2,1-2H3
InChIKeyYMLYRWXNDCHZDT-UHFFFAOYSA-N
XLogP4.90
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6-tetraphenyl-1-propylpyridin-4-one
CID 73057320
3-phenyl-2-propylisoquinolin-1-one
CID 102338692
ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate
CID 14075368
7-phenyl-6-propyl-1,6-naphthyridin-5-one
CID 15720869
1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one
CID 14303546
2-(4-fluorophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303719
1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one
CID 14500012
2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole
CID 10998697
1-(2,4-dichlorophenyl)-3-methyl-2,6-diphenylpyridin-4-one
CID 14303623
1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid
CID 14075377
3,5-dichloro-6-phenyl-1-propylpyrazin-2-one
CID 102534412
6-heptyl-3-methyl-1,2-diphenylpyridin-4-one
CID 14621388

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6-diphenyl-1-propylpyridin-4-one?
The IUPAC name of 3-methyl-2,6-diphenyl-1-propylpyridin-4-one (CID 14517569) is 3-methyl-2,6-diphenyl-1-propylpyridin-4-one.
What is the SMILES notation for 3-methyl-2,6-diphenyl-1-propylpyridin-4-one?
The canonical SMILES for 3-methyl-2,6-diphenyl-1-propylpyridin-4-one is CCCn1c(-c2ccccc2)cc(=O)c(C)c1-c1ccccc1.
What is the InChIKey of 3-methyl-2,6-diphenyl-1-propylpyridin-4-one?
The InChIKey is YMLYRWXNDCHZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-3-14-22-19(17-10-6-4-7-11-17)15-20(23)16(2)21(22)18-12-8-5-9-13-18/h4-13,15H,3,14H2,1-2H3.
What are the key properties of 3-methyl-2,6-diphenyl-1-propylpyridin-4-one?
3-methyl-2,6-diphenyl-1-propylpyridin-4-one has a molecular weight of 303.41 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-diphenyl-1-propylpyridin-4-one is sourced from PubChem (CID 14517569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).