5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one

C17H22N2O — CID 134258559

IUPAC5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc(C(C)N(C)C)cc2)cn(C)c1=O
InChIInChI=1S/C17H22N2O/c1-12-10-16(11-19(5)17(12)20)15-8-6-14(7-9-15)13(2)18(3)4/h6-11,13H,1-5H3
InChIKeyDVKYADUTGNEVGA-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.98
Rot. Bonds3

About 5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one

5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one (PubChem CID 134258559) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one
PubChem CID134258559
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc(C(C)N(C)C)cc2)cn(C)c1=O
InChIInChI=1S/C17H22N2O/c1-12-10-16(11-19(5)17(12)20)15-8-6-14(7-9-15)13(2)18(3)4/h6-11,13H,1-5H3
InChIKeyDVKYADUTGNEVGA-UHFFFAOYSA-N
XLogP2.98
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one
CID 134258642
5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134258609
5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one
CID 126582767
5-[4-(chloromethyl)-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134247830
N,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine
CID 176844066
7-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]-2H-isoquinolin-1-one
CID 126443624
5-amino-1,3-dimethylpyridin-2-one
CID 67456616
(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-N,N-dimethylethanamine
CID 126441478
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one
CID 126572990
5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one
CID 126582851
1,3-dimethyl-5-[3-(N-methylanilino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 129070909
5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one
CID 130371266

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one (CID 134258559) is 5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2ccc(C(C)N(C)C)cc2)cn(C)c1=O.
What is the InChIKey of 5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is DVKYADUTGNEVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-10-16(11-19(5)17(12)20)15-8-6-14(7-9-15)13(2)18(3)4/h6-11,13H,1-5H3.
What are the key properties of 5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one?
5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 270.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 134258559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).