2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one

C13H14N2O — CID 106513916

IUPAC2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one
SMILESCN(C)c1ccc(-c2cc(=O)cc[nH]2)cc1
InChIInChI=1S/C13H14N2O/c1-15(2)11-5-3-10(4-6-11)13-9-12(16)7-8-14-13/h3-9H,1-2H3,(H,14,16)
InChIKeyVWMPIEAPETYSSI-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.11
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one

2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one (PubChem CID 106513916) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one
PubChem CID106513916
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one
SMILESCN(C)c1ccc(-c2cc(=O)cc[nH]2)cc1
InChIInChI=1S/C13H14N2O/c1-15(2)11-5-3-10(4-6-11)13-9-12(16)7-8-14-13/h3-9H,1-2H3,(H,14,16)
InChIKeyVWMPIEAPETYSSI-UHFFFAOYSA-N
XLogP2.11
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylsulfanylphenyl)-1H-pyridin-4-one
CID 53229354
4-(4-oxo-1H-pyridin-2-yl)benzoic acid
CID 53229319
2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one
CID 53229468
2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 53229611
6-[4-(dimethylamino)phenyl]-1H-pyridin-2-one
CID 106513930
7-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2H-isoquinolin-1-one
CID 122626734
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
2-(3-chlorophenyl)-1H-pyridin-4-one
CID 53229265
6-[4-(dimethylamino)phenyl]-1H-pyridine-2-thione
CID 106513951
2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione
CID 23906855
6-(dimethylamino)-2H-isoquinolin-1-one
CID 57424142
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane
CID 157316165

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one (CID 106513916) is 2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one is CN(C)c1ccc(-c2cc(=O)cc[nH]2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one?
The InChIKey is VWMPIEAPETYSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-15(2)11-5-3-10(4-6-11)13-9-12(16)7-8-14-13/h3-9H,1-2H3,(H,14,16).
What are the key properties of 2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one?
2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one has a molecular weight of 214.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-1H-pyridin-4-one is sourced from PubChem (CID 106513916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).