5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one

C13H15N3O — CID 126582767

IUPAC5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc(N)c(N)c2)cn(C)c1=O
InChIInChI=1S/C13H15N3O/c1-8-5-10(7-16(2)13(8)17)9-3-4-11(14)12(15)6-9/h3-7H,14-15H2,1-2H3
InChIKeyAMZINFJXHMSAHZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.53
Rot. Bonds1

About 5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one

5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one (PubChem CID 126582767) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one
PubChem CID126582767
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc(N)c(N)c2)cn(C)c1=O
InChIInChI=1S/C13H15N3O/c1-8-5-10(7-16(2)13(8)17)9-3-4-11(14)12(15)6-9/h3-7H,14-15H2,1-2H3
InChIKeyAMZINFJXHMSAHZ-UHFFFAOYSA-N
XLogP1.53
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[4-(chloromethyl)-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134247830
5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one
CID 134258642
5-amino-1,3-dimethylpyridin-2-one
CID 67456616
5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one
CID 134258559
5-[4-amino-3-[[(2S)-1-ethoxypropan-2-yl]amino]phenyl]-1,3-dimethylpyridin-2-one
CID 126582765
5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134258609
5-[4-amino-3-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]-1,3-dimethylpyridin-2-one
CID 126572486
5-[4-amino-3-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]-1,3-dimethylpyridin-2-one;ethane
CID 145256342
3-amino-1-methyl-5-(2-methylphenyl)pyridin-2-one
CID 117222135
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one
CID 126572990
3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one
CID 23339828
3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 117222163

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one (CID 126582767) is 5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one is Cc1cc(-c2ccc(N)c(N)c2)cn(C)c1=O.
What is the InChIKey of 5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one?
The InChIKey is AMZINFJXHMSAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-5-10(7-16(2)13(8)17)9-3-4-11(14)12(15)6-9/h3-7H,14-15H2,1-2H3.
What are the key properties of 5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one?
5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 126582767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).