5-(4-methylsulfonylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine

C24H27N3O3S — CID 53311394

IUPAC5-(4-methylsulfonylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(OCCN4CCCC4)cc3)c2)cc1
InChIInChI=1S/C24H27N3O3S/c1-31(28,29)22-10-6-18(7-11-22)20-16-23(24(25)26-17-20)19-4-8-21(9-5-19)30-15-14-27-12-2-3-13-27/h4-11,16-17H,2-3,12-15H2,1H3,(H2,25,26)
InChIKeyGKGAOGIKLVBTNP-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.88
Rot. Bonds7

About 5-(4-methylsulfonylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine

5-(4-methylsulfonylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine (PubChem CID 53311394) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine
PubChem CID53311394
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name5-(4-methylsulfonylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(OCCN4CCCC4)cc3)c2)cc1
InChIInChI=1S/C24H27N3O3S/c1-31(28,29)22-10-6-18(7-11-22)20-16-23(24(25)26-17-20)19-4-8-21(9-5-19)30-15-14-27-12-2-3-13-27/h4-11,16-17H,2-3,12-15H2,1H3,(H2,25,26)
InChIKeyGKGAOGIKLVBTNP-UHFFFAOYSA-N
XLogP3.88
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.88
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-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine (CID 53311394) is 5-(4-methylsulfonylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(OCCN4CCCC4)cc3)c2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine?
The InChIKey is GKGAOGIKLVBTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-31(28,29)22-10-6-18(7-11-22)20-16-23(24(25)26-17-20)19-4-8-21(9-5-19)30-15-14-27-12-2-3-13-27/h4-11,16-17H,2-3,12-15H2,1H3,(H2,25,26).
What are the key properties of 5-(4-methylsulfonylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine?
5-(4-methylsulfonylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine has a molecular weight of 437.57 g/mol, XLogP of 3.88, 7 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-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 53311394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).