2-(5-methoxy-3-pyridinyl)-6-(4-methylphenyl)pyrazine

C17H15N3O — CID 45488867

IUPAC2-(5-methoxy-3-pyridinyl)-6-(4-methylphenyl)pyrazine
SMILESCOc1cncc(-c2cncc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C17H15N3O/c1-12-3-5-13(6-4-12)16-10-19-11-17(20-16)14-7-15(21-2)9-18-8-14/h3-11H,1-2H3
InChIKeyPXHPYGLLMJHQGX-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.52
Rot. Bonds3

About 2-(5-methoxy-3-pyridinyl)-6-(4-methylphenyl)pyrazine

2-(5-methoxy-3-pyridinyl)-6-(4-methylphenyl)pyrazine (PubChem CID 45488867) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(5-methoxy-3-pyridinyl)-6-(4-methylphenyl)pyrazine.

Molecular Properties

Compound Name2-(5-methoxy-3-pyridinyl)-6-(4-methylphenyl)pyrazine
PubChem CID45488867
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(5-methoxy-3-pyridinyl)-6-(4-methylphenyl)pyrazine
SMILESCOc1cncc(-c2cncc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C17H15N3O/c1-12-3-5-13(6-4-12)16-10-19-11-17(20-16)14-7-15(21-2)9-18-8-14/h3-11H,1-2H3
InChIKeyPXHPYGLLMJHQGX-UHFFFAOYSA-N
XLogP3.52
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3-pyridinyl)-6-(4-methylphenyl)pyrazine?
The IUPAC name of 2-(5-methoxy-3-pyridinyl)-6-(4-methylphenyl)pyrazine (CID 45488867) is 2-(5-methoxy-3-pyridinyl)-6-(4-methylphenyl)pyrazine.
What is the SMILES notation for 2-(5-methoxy-3-pyridinyl)-6-(4-methylphenyl)pyrazine?
The canonical SMILES for 2-(5-methoxy-3-pyridinyl)-6-(4-methylphenyl)pyrazine is COc1cncc(-c2cncc(-c3ccc(C)cc3)n2)c1.
What is the InChIKey of 2-(5-methoxy-3-pyridinyl)-6-(4-methylphenyl)pyrazine?
The InChIKey is PXHPYGLLMJHQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-3-5-13(6-4-12)16-10-19-11-17(20-16)14-7-15(21-2)9-18-8-14/h3-11H,1-2H3.
What are the key properties of 2-(5-methoxy-3-pyridinyl)-6-(4-methylphenyl)pyrazine?
2-(5-methoxy-3-pyridinyl)-6-(4-methylphenyl)pyrazine has a molecular weight of 277.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3-pyridinyl)-6-(4-methylphenyl)pyrazine is sourced from PubChem (CID 45488867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).