3-(2-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine

C18H17N3O3S — CID 53311134

IUPAC3-(2-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCOc1ncccc1-c1cc(-c2ccc(S(C)(=O)=O)cc2)cnc1N
InChIInChI=1S/C18H17N3O3S/c1-24-18-15(4-3-9-20-18)16-10-13(11-21-17(16)19)12-5-7-14(8-6-12)25(2,22)23/h3-11H,1-2H3,(H2,19,21)
InChIKeyAPLOJPMENFWIPG-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.80
Rot. Bonds4

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

3-(2-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine (PubChem CID 53311134) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-(2-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(2-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
PubChem CID53311134
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name3-(2-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCOc1ncccc1-c1cc(-c2ccc(S(C)(=O)=O)cc2)cnc1N
InChIInChI=1S/C18H17N3O3S/c1-24-18-15(4-3-9-20-18)16-10-13(11-21-17(16)19)12-5-7-14(8-6-12)25(2,22)23/h3-11H,1-2H3,(H2,19,21)
InChIKeyAPLOJPMENFWIPG-UHFFFAOYSA-N
XLogP2.80
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 3-(2-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine (CID 53311134) is 3-(2-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(2-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(2-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine is COc1ncccc1-c1cc(-c2ccc(S(C)(=O)=O)cc2)cnc1N.
What is the InChIKey of 3-(2-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The InChIKey is APLOJPMENFWIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-24-18-15(4-3-9-20-18)16-10-13(11-21-17(16)19)12-5-7-14(8-6-12)25(2,22)23/h3-11H,1-2H3,(H2,19,21).
What are the key properties of 3-(2-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
3-(2-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine has a molecular weight of 355.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 53311134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).