2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone

C15H15NO — CID 115373939

IUPAC2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cncc(C)c2)cc1
InChIInChI=1S/C15H15NO/c1-11-3-5-13(6-4-11)8-15(17)14-7-12(2)9-16-10-14/h3-7,9-10H,8H2,1-2H3
InChIKeyRPBVLGYPSGRUID-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.12
Rot. Bonds3

About 2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone

2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone (PubChem CID 115373939) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
PubChem CID115373939
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cncc(C)c2)cc1
InChIInChI=1S/C15H15NO/c1-11-3-5-13(6-4-11)8-15(17)14-7-12(2)9-16-10-14/h3-7,9-10H,8H2,1-2H3
InChIKeyRPBVLGYPSGRUID-UHFFFAOYSA-N
XLogP3.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Metyrapone
CID 4174
3-Acetylpyridine
CID 9589
4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone
CID 47289
4-Benzoylpyridine
CID 26731
Phenyl-3-pyridinylmethanone
CID 21540
2-Benzoylpyridine
CID 7038
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
3-Acetyl-6-methylpyridine
CID 95292
Ethanedione, di-3-pyridinyl-
CID 260384
Benzo(g)isoquinoline-5,10-dione
CID 100650
1-(4-Pyridinyl)-1-propanone
CID 74343
Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)
CID 78774

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone (CID 115373939) is 2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone is Cc1ccc(CC(=O)c2cncc(C)c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone?
The InChIKey is RPBVLGYPSGRUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11-3-5-13(6-4-11)8-15(17)14-7-12(2)9-16-10-14/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone?
2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone has a molecular weight of 225.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 115373939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).