2,6-dimethyl-3-(4-methylphenyl)-1H-pyridin-4-one

C14H15NO — CID 15171322

IUPAC2,6-dimethyl-3-(4-methylphenyl)-1H-pyridin-4-one
SMILESCc1ccc(-c2c(C)[nH]c(C)cc2=O)cc1
InChIInChI=1S/C14H15NO/c1-9-4-6-12(7-5-9)14-11(3)15-10(2)8-13(14)16/h4-8H,1-3H3,(H,15,16)
InChIKeyVBGXBGWAKLRUMK-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.97
Rot. Bonds1

About 2,6-dimethyl-3-(4-methylphenyl)-1H-pyridin-4-one

2,6-dimethyl-3-(4-methylphenyl)-1H-pyridin-4-one (PubChem CID 15171322) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,6-dimethyl-3-(4-methylphenyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(4-methylphenyl)-1H-pyridin-4-one
PubChem CID15171322
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2,6-dimethyl-3-(4-methylphenyl)-1H-pyridin-4-one
SMILESCc1ccc(-c2c(C)[nH]c(C)cc2=O)cc1
InChIInChI=1S/C14H15NO/c1-9-4-6-12(7-5-9)14-11(3)15-10(2)8-13(14)16/h4-8H,1-3H3,(H,15,16)
InChIKeyVBGXBGWAKLRUMK-UHFFFAOYSA-N
XLogP2.97
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-phenyl-
CID 88738
3-(Methylamino)-5-phenylcyclohex-2-en-1-one
CID 5107198
3-bromo-2,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one
CID 20080825
3-chloro-5-[4-(4-fluorophenyl)phenyl]-2,6-dimethyl-1H-pyridin-4-one
CID 20080898
3-[4-(3-amino-3-ethylpent-1-ynyl)phenyl]-5-bromo-2,6-dimethyl-1H-pyridin-4-one
CID 44527685
3-bromo-5-(4-ethenylphenyl)-2,6-dimethyl-1H-pyridin-4-one
CID 44528829
3-bromo-5-[4-(4-fluorophenyl)phenyl]-2,6-dimethyl-1H-pyridin-4-one
CID 20080865
Crotonophenone, 3-amino-
CID 5524548
3-Amino-5-phenyl-2-cyclohexen-1-one
CID 12210105
2,6-Dimethyl-3-phenyl-4(1H)-pyridinone
CID 14950490
3-Isobutylamino-5-p-tolyl-cyclohex-2-enone
CID 2887160
3-chloro-2,6-dimethyl-5-phenyl-1H-pyridin-4-one
CID 20080797

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(4-methylphenyl)-1H-pyridin-4-one?
The IUPAC name of 2,6-dimethyl-3-(4-methylphenyl)-1H-pyridin-4-one (CID 15171322) is 2,6-dimethyl-3-(4-methylphenyl)-1H-pyridin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(4-methylphenyl)-1H-pyridin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(4-methylphenyl)-1H-pyridin-4-one is Cc1ccc(-c2c(C)[nH]c(C)cc2=O)cc1.
What is the InChIKey of 2,6-dimethyl-3-(4-methylphenyl)-1H-pyridin-4-one?
The InChIKey is VBGXBGWAKLRUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-9-4-6-12(7-5-9)14-11(3)15-10(2)8-13(14)16/h4-8H,1-3H3,(H,15,16).
What are the key properties of 2,6-dimethyl-3-(4-methylphenyl)-1H-pyridin-4-one?
2,6-dimethyl-3-(4-methylphenyl)-1H-pyridin-4-one has a molecular weight of 213.28 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(4-methylphenyl)-1H-pyridin-4-one is sourced from PubChem (CID 15171322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).