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

C36H36N6O4 — CID 67748270

IUPACbis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-methyl-2-(4-methyl-2-pyridinyl)pyridine
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
InChIInChI=1S/2C12H12N2O2.C12H12N2/c2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h2*3-8H,1-2H3;3-8H,1-2H3
InChIKeyJQRMNEIWOYETQU-UHFFFAOYSA-N
MW616.72 g/mol
LogP7.08
Rot. Bonds7

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

bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-methyl-2-(4-methyl-2-pyridinyl)pyridine (PubChem CID 67748270) has the molecular formula C36H36N6O4 and a molecular weight of 616.72 g/mol. Its IUPAC name is bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-methyl-2-(4-methyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Namebis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-methyl-2-(4-methyl-2-pyridinyl)pyridine
PubChem CID67748270
Molecular FormulaC36H36N6O4
Molecular Weight616.72 g/mol
Exact Mass616.28
IUPAC Namebis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-methyl-2-(4-methyl-2-pyridinyl)pyridine
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
InChIInChI=1S/2C12H12N2O2.C12H12N2/c2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h2*3-8H,1-2H3;3-8H,1-2H3
InChIKeyJQRMNEIWOYETQU-UHFFFAOYSA-N
XLogP7.08
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.72
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-methyl-2-(4-methyl-2-pyridinyl)pyridine?
The IUPAC name of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-methyl-2-(4-methyl-2-pyridinyl)pyridine (CID 67748270) is bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-methyl-2-(4-methyl-2-pyridinyl)pyridine.
What is the SMILES notation for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-methyl-2-(4-methyl-2-pyridinyl)pyridine?
The canonical SMILES for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-methyl-2-(4-methyl-2-pyridinyl)pyridine is COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.
What is the InChIKey of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-methyl-2-(4-methyl-2-pyridinyl)pyridine?
The InChIKey is JQRMNEIWOYETQU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12N2O2.C12H12N2/c2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h2*3-8H,1-2H3;3-8H,1-2H3.
What are the key properties of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-methyl-2-(4-methyl-2-pyridinyl)pyridine?
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-methyl-2-(4-methyl-2-pyridinyl)pyridine has a molecular weight of 616.72 g/mol, XLogP of 7.08, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-methyl-2-(4-methyl-2-pyridinyl)pyridine is sourced from PubChem (CID 67748270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).