3-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine

C18H17N3O2S — CID 53311392

IUPAC3-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1
InChIInChI=1S/C18H17N3O2S/c1-12-3-4-14(10-20-12)17-9-15(11-21-18(17)19)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3,(H2,19,21)
InChIKeyMEZBSZIOMPUBDQ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.10
Rot. Bonds3

About 3-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine

3-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine (PubChem CID 53311392) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
PubChem CID53311392
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name3-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1
InChIInChI=1S/C18H17N3O2S/c1-12-3-4-14(10-20-12)17-9-15(11-21-18(17)19)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3,(H2,19,21)
InChIKeyMEZBSZIOMPUBDQ-UHFFFAOYSA-N
XLogP3.10
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 3-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine (CID 53311392) is 3-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine is Cc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1.
What is the InChIKey of 3-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The InChIKey is MEZBSZIOMPUBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-3-4-14(10-20-12)17-9-15(11-21-18(17)19)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3,(H2,19,21).
What are the key properties of 3-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
3-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine has a molecular weight of 339.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 53311392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).