3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one

C13H14N2O3S — CID 118022097

IUPAC3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one
SMILESCn1cc(-c2cccc(S(C)(=O)=O)c2)cc(N)c1=O
InChIInChI=1S/C13H14N2O3S/c1-15-8-10(7-12(14)13(15)16)9-4-3-5-11(6-9)19(2,17)18/h3-8H,14H2,1-2H3
InChIKeyYGUMCEDDFVYQNX-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.04
Rot. Bonds2

About 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one

3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one (PubChem CID 118022097) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one
PubChem CID118022097
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one
SMILESCn1cc(-c2cccc(S(C)(=O)=O)c2)cc(N)c1=O
InChIInChI=1S/C13H14N2O3S/c1-15-8-10(7-12(14)13(15)16)9-4-3-5-11(6-9)19(2,17)18/h3-8H,14H2,1-2H3
InChIKeyYGUMCEDDFVYQNX-UHFFFAOYSA-N
XLogP1.04
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one?
The IUPAC name of 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one (CID 118022097) is 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one is Cn1cc(-c2cccc(S(C)(=O)=O)c2)cc(N)c1=O.
What is the InChIKey of 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one?
The InChIKey is YGUMCEDDFVYQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-15-8-10(7-12(14)13(15)16)9-4-3-5-11(6-9)19(2,17)18/h3-8H,14H2,1-2H3.
What are the key properties of 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one?
3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one has a molecular weight of 278.33 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyridin-2-one is sourced from PubChem (CID 118022097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).