4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)

C36H36N6O2 — CID 67748276

IUPAC4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
InChIInChI=1S/C12H12N2O2.2C12H12N2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3;2*3-8H,1-2H3
InChIKeyGXOJPKDYSPZAIE-UHFFFAOYSA-N
MW584.72 g/mol
LogP7.68
Rot. Bonds5

About 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)

4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine) (PubChem CID 67748276) has the molecular formula C36H36N6O2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine).

Molecular Properties

Compound Name4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
PubChem CID67748276
Molecular FormulaC36H36N6O2
Molecular Weight584.72 g/mol
Exact Mass584.29
IUPAC Name4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
InChIInChI=1S/C12H12N2O2.2C12H12N2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3;2*3-8H,1-2H3
InChIKeyGXOJPKDYSPZAIE-UHFFFAOYSA-N
XLogP7.68
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)?
The IUPAC name of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine) (CID 67748276) is 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine).
What is the SMILES notation for 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)?
The canonical SMILES for 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine) is COc1ccnc(-c2cc(OC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.
What is the InChIKey of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)?
The InChIKey is GXOJPKDYSPZAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.2C12H12N2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3;2*3-8H,1-2H3.
What are the key properties of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)?
4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine) has a molecular weight of 584.72 g/mol, XLogP of 7.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine) is sourced from PubChem (CID 67748276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).