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

C18H17N3O3S — CID 44525560

IUPAC3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1
InChIInChI=1S/C18H17N3O3S/c1-24-17-8-5-13(10-20-17)16-9-14(11-21-18(16)19)12-3-6-15(7-4-12)25(2,22)23/h3-11H,1-2H3,(H2,19,21)
InChIKeyMPUUTGILUJDKKP-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.80
Rot. Bonds4

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

3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine (PubChem CID 44525560) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
PubChem CID44525560
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1
InChIInChI=1S/C18H17N3O3S/c1-24-17-8-5-13(10-20-17)16-9-14(11-21-18(16)19)12-3-6-15(7-4-12)25(2,22)23/h3-11H,1-2H3,(H2,19,21)
InChIKeyMPUUTGILUJDKKP-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-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine (CID 44525560) is 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine is COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The InChIKey is MPUUTGILUJDKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-24-17-8-5-13(10-20-17)16-9-14(11-21-18(16)19)12-3-6-15(7-4-12)25(2,22)23/h3-11H,1-2H3,(H2,19,21).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
3-(6-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-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 44525560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).