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

C20H20N2O3S — CID 44525552

IUPAC3-[3-(methoxymethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCOCc1cccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)c1
InChIInChI=1S/C20H20N2O3S/c1-25-13-14-4-3-5-16(10-14)19-11-17(12-22-20(19)21)15-6-8-18(9-7-15)26(2,23)24/h3-12H,13H2,1-2H3,(H2,21,22)
InChIKeyIYTRLQGSCMXKPN-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.55
Rot. Bonds5

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

3-[3-(methoxymethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine (PubChem CID 44525552) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
PubChem CID44525552
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name3-[3-(methoxymethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCOCc1cccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)c1
InChIInChI=1S/C20H20N2O3S/c1-25-13-14-4-3-5-16(10-14)19-11-17(12-22-20(19)21)15-6-8-18(9-7-15)26(2,23)24/h3-12H,13H2,1-2H3,(H2,21,22)
InChIKeyIYTRLQGSCMXKPN-UHFFFAOYSA-N
XLogP3.55
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 3-[3-(methoxymethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine (CID 44525552) is 3-[3-(methoxymethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-[3-(methoxymethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 3-[3-(methoxymethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine is COCc1cccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The InChIKey is IYTRLQGSCMXKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-25-13-14-4-3-5-16(10-14)19-11-17(12-22-20(19)21)15-6-8-18(9-7-15)26(2,23)24/h3-12H,13H2,1-2H3,(H2,21,22).
What are the key properties of 3-[3-(methoxymethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine?
3-[3-(methoxymethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine has a molecular weight of 368.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 44525552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).