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

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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).