3-(2,2-dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine

C24H21N3O — CID 66829310

IUPAC3-(2,2-dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine
SMILESCOc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C24H21N3O/c1-28-22-10-2-6-18(14-22)24-19(7-5-13-27-24)15-23(20-8-3-11-25-16-20)21-9-4-12-26-17-21/h2-14,16-17,23H,15H2,1H3
InChIKeySEQVCZOGEGSJLY-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.92
Rot. Bonds6

About 3-(2,2-dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine

3-(2,2-dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine (PubChem CID 66829310) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(2,2-dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine.

Molecular Properties

Compound Name3-(2,2-dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine
PubChem CID66829310
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name3-(2,2-dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine
SMILESCOc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C24H21N3O/c1-28-22-10-2-6-18(14-22)24-19(7-5-13-27-24)15-23(20-8-3-11-25-16-20)21-9-4-12-26-17-21/h2-14,16-17,23H,15H2,1H3
InChIKeySEQVCZOGEGSJLY-UHFFFAOYSA-N
XLogP4.92
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine?
The IUPAC name of 3-(2,2-dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine (CID 66829310) is 3-(2,2-dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine.
What is the SMILES notation for 3-(2,2-dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine?
The canonical SMILES for 3-(2,2-dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine is COc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1.
What is the InChIKey of 3-(2,2-dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine?
The InChIKey is SEQVCZOGEGSJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-28-22-10-2-6-18(14-22)24-19(7-5-13-27-24)15-23(20-8-3-11-25-16-20)21-9-4-12-26-17-21/h2-14,16-17,23H,15H2,1H3.
What are the key properties of 3-(2,2-dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine?
3-(2,2-dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine has a molecular weight of 367.45 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine is sourced from PubChem (CID 66829310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).