2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine

C29H25N5O2 — CID 22995374

IUPAC2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine
SMILESCOC(c1ccccn1)(c1ccccn1)c1cccc(C(OC)(c2ccccn2)c2ccccn2)n1
InChIInChI=1S/C29H25N5O2/c1-35-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(36-2,24-14-5-9-20-32-24)25-15-6-10-21-33-25/h3-21H,1-2H3
InChIKeyDADSTHZQYZQBQI-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.54
Rot. Bonds8

About 2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine

2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine (PubChem CID 22995374) has the molecular formula C29H25N5O2 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine.

Molecular Properties

Compound Name2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine
PubChem CID22995374
Molecular FormulaC29H25N5O2
Molecular Weight475.55 g/mol
Exact Mass475.20
IUPAC Name2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine
SMILESCOC(c1ccccn1)(c1ccccn1)c1cccc(C(OC)(c2ccccn2)c2ccccn2)n1
InChIInChI=1S/C29H25N5O2/c1-35-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(36-2,24-14-5-9-20-32-24)25-15-6-10-21-33-25/h3-21H,1-2H3
InChIKeyDADSTHZQYZQBQI-UHFFFAOYSA-N
XLogP4.54
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine?
The IUPAC name of 2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine (CID 22995374) is 2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine.
What is the SMILES notation for 2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine?
The canonical SMILES for 2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine is COC(c1ccccn1)(c1ccccn1)c1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.
What is the InChIKey of 2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine?
The InChIKey is DADSTHZQYZQBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O2/c1-35-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(36-2,24-14-5-9-20-32-24)25-15-6-10-21-33-25/h3-21H,1-2H3.
What are the key properties of 2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine?
2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine has a molecular weight of 475.55 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine is sourced from PubChem (CID 22995374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).