3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine

C20H20N2O4S — CID 155561849

IUPAC3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCOCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cc1
InChIInChI=1S/C20H20N2O4S/c1-25-13-26-17-7-3-15(4-8-17)19-11-16(12-22-20(19)21)14-5-9-18(10-6-14)27(2,23)24/h3-12H,13H2,1-2H3,(H2,21,22)
InChIKeyIJQQAQWTGLRXSE-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.38
Rot. Bonds6

About 3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine

3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine (PubChem CID 155561849) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
PubChem CID155561849
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCOCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cc1
InChIInChI=1S/C20H20N2O4S/c1-25-13-26-17-7-3-15(4-8-17)19-11-16(12-22-20(19)21)14-5-9-18(10-6-14)27(2,23)24/h3-12H,13H2,1-2H3,(H2,21,22)
InChIKeyIJQQAQWTGLRXSE-UHFFFAOYSA-N
XLogP3.38
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine (CID 155561849) is 3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine is COCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cc1.
What is the InChIKey of 3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The InChIKey is IJQQAQWTGLRXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-25-13-26-17-7-3-15(4-8-17)19-11-16(12-22-20(19)21)14-5-9-18(10-6-14)27(2,23)24/h3-12H,13H2,1-2H3,(H2,21,22).
What are the key properties of 3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine?
3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine has a molecular weight of 384.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 155561849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).