5-(4-methylsulfonylphenyl)-3-(4-morpholin-4-ylphenyl)pyridin-2-amine

C22H23N3O3S — CID 53311395

IUPAC5-(4-methylsulfonylphenyl)-3-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(N4CCOCC4)cc3)c2)cc1
InChIInChI=1S/C22H23N3O3S/c1-29(26,27)20-8-4-16(5-9-20)18-14-21(22(23)24-15-18)17-2-6-19(7-3-17)25-10-12-28-13-11-25/h2-9,14-15H,10-13H2,1H3,(H2,23,24)
InChIKeyODQZZWWRJFGDAH-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.24
Rot. Bonds4

About 5-(4-methylsulfonylphenyl)-3-(4-morpholin-4-ylphenyl)pyridin-2-amine

5-(4-methylsulfonylphenyl)-3-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 53311395) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-3-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-3-(4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID53311395
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name5-(4-methylsulfonylphenyl)-3-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(N4CCOCC4)cc3)c2)cc1
InChIInChI=1S/C22H23N3O3S/c1-29(26,27)20-8-4-16(5-9-20)18-14-21(22(23)24-15-18)17-2-6-19(7-3-17)25-10-12-28-13-11-25/h2-9,14-15H,10-13H2,1H3,(H2,23,24)
InChIKeyODQZZWWRJFGDAH-UHFFFAOYSA-N
XLogP3.24
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-3-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-3-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 53311395) is 5-(4-methylsulfonylphenyl)-3-(4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-3-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-3-(4-morpholin-4-ylphenyl)pyridin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(N4CCOCC4)cc3)c2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-3-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is ODQZZWWRJFGDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-29(26,27)20-8-4-16(5-9-20)18-14-21(22(23)24-15-18)17-2-6-19(7-3-17)25-10-12-28-13-11-25/h2-9,14-15H,10-13H2,1H3,(H2,23,24).
What are the key properties of 5-(4-methylsulfonylphenyl)-3-(4-morpholin-4-ylphenyl)pyridin-2-amine?
5-(4-methylsulfonylphenyl)-3-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 409.51 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-3-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 53311395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).