2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine

C22H18N2O2 — CID 169050230

IUPAC2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine
SMILESCOc1ccc2c(-c3ccccn3)c(OC)cc(-c3ccccn3)c2c1
InChIInChI=1S/C22H18N2O2/c1-25-15-9-10-16-17(13-15)18(19-7-3-5-11-23-19)14-21(26-2)22(16)20-8-4-6-12-24-20/h3-14H,1-2H3
InChIKeyRPQHWTVDRVLZAK-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.98
Rot. Bonds4

About 2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine

2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine (PubChem CID 169050230) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine.

Molecular Properties

Compound Name2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine
PubChem CID169050230
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine
SMILESCOc1ccc2c(-c3ccccn3)c(OC)cc(-c3ccccn3)c2c1
InChIInChI=1S/C22H18N2O2/c1-25-15-9-10-16-17(13-15)18(19-7-3-5-11-23-19)14-21(26-2)22(16)20-8-4-6-12-24-20/h3-14H,1-2H3
InChIKeyRPQHWTVDRVLZAK-UHFFFAOYSA-N
XLogP4.98
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine?
The IUPAC name of 2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine (CID 169050230) is 2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine.
What is the SMILES notation for 2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine?
The canonical SMILES for 2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine is COc1ccc2c(-c3ccccn3)c(OC)cc(-c3ccccn3)c2c1.
What is the InChIKey of 2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine?
The InChIKey is RPQHWTVDRVLZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-25-15-9-10-16-17(13-15)18(19-7-3-5-11-23-19)14-21(26-2)22(16)20-8-4-6-12-24-20/h3-14H,1-2H3.
What are the key properties of 2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine?
2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine has a molecular weight of 342.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine is sourced from PubChem (CID 169050230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).