2-(6-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyridin-3-amine

C18H17N3O3S — CID 72711830

IUPAC2-(6-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyridin-3-amine
SMILESCOc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)ccc2N)cn1
InChIInChI=1S/C18H17N3O3S/c1-24-17-10-5-13(11-20-17)18-15(19)8-9-16(21-18)12-3-6-14(7-4-12)25(2,22)23/h3-11H,19H2,1-2H3
InChIKeyDUGGQECQOXZLJA-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.80
Rot. Bonds4

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

2-(6-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyridin-3-amine (PubChem CID 72711830) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyridin-3-amine
PubChem CID72711830
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-(6-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyridin-3-amine
SMILESCOc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)ccc2N)cn1
InChIInChI=1S/C18H17N3O3S/c1-24-17-10-5-13(11-20-17)18-15(19)8-9-16(21-18)12-3-6-14(7-4-12)25(2,22)23/h3-11H,19H2,1-2H3
InChIKeyDUGGQECQOXZLJA-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 2-(6-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyridin-3-amine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyridin-3-amine (CID 72711830) is 2-(6-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyridin-3-amine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyridin-3-amine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyridin-3-amine is COc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)ccc2N)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyridin-3-amine?
The InChIKey is DUGGQECQOXZLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-24-17-10-5-13(11-20-17)18-15(19)8-9-16(21-18)12-3-6-14(7-4-12)25(2,22)23/h3-11H,19H2,1-2H3.
What are the key properties of 2-(6-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyridin-3-amine?
2-(6-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyridin-3-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 2-(6-methoxy-3-pyridinyl)-6-(4-methylsulfonylphenyl)pyridin-3-amine is sourced from PubChem (CID 72711830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).