3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one

C18H16N2O4S — CID 72711196

IUPAC3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c[nH]c2=O)cn1
InChIInChI=1S/C18H16N2O4S/c1-24-17-8-5-13(10-19-17)16-9-14(11-20-18(16)21)12-3-6-15(7-4-12)25(2,22)23/h3-11H,1-2H3,(H,20,21)
InChIKeyOIZFHMDZCPVQBE-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.52
Rot. Bonds4

About 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one

3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one (PubChem CID 72711196) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one
PubChem CID72711196
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c[nH]c2=O)cn1
InChIInChI=1S/C18H16N2O4S/c1-24-17-8-5-13(10-19-17)16-9-14(11-20-18(16)21)12-3-6-15(7-4-12)25(2,22)23/h3-11H,1-2H3,(H,20,21)
InChIKeyOIZFHMDZCPVQBE-UHFFFAOYSA-N
XLogP2.52
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-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

Related Compounds

2-methoxy-5-methylsulfonylpyridine
CID 13433434
4-(6-methoxy-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridin-2-amine
CID 123572941
4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one
CID 136692328
3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311217
6-fluoro-3-(6-methoxy-3-pyridinyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18325037
7-(6-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 56591935
5-(4-methylsulfonylphenyl)-1H-pyridin-2-one
CID 53218127
2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine
CID 89440965
4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol
CID 155521619
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 155561849
4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide
CID 53311138

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one (CID 72711196) is 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one is COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c[nH]c2=O)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one?
The InChIKey is OIZFHMDZCPVQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-24-17-8-5-13(10-19-17)16-9-14(11-20-18(16)21)12-3-6-15(7-4-12)25(2,22)23/h3-11H,1-2H3,(H,20,21).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one?
3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one has a molecular weight of 356.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 72711196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).