2-benzyl-3-(3-pyridin-3-yl-2-pyridinyl)pyridine

C22H17N3 — CID 175335350

IUPAC2-benzyl-3-(3-pyridin-3-yl-2-pyridinyl)pyridine
SMILESc1ccc(Cc2ncccc2-c2ncccc2-c2cccnc2)cc1
InChIInChI=1S/C22H17N3/c1-2-7-17(8-3-1)15-21-20(11-6-13-24-21)22-19(10-5-14-25-22)18-9-4-12-23-16-18/h1-14,16H,15H2
InChIKeyZAYYUBFQOAMVKU-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.80
Rot. Bonds4

About 2-benzyl-3-(3-pyridin-3-yl-2-pyridinyl)pyridine

2-benzyl-3-(3-pyridin-3-yl-2-pyridinyl)pyridine (PubChem CID 175335350) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-benzyl-3-(3-pyridin-3-yl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2-benzyl-3-(3-pyridin-3-yl-2-pyridinyl)pyridine
PubChem CID175335350
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name2-benzyl-3-(3-pyridin-3-yl-2-pyridinyl)pyridine
SMILESc1ccc(Cc2ncccc2-c2ncccc2-c2cccnc2)cc1
InChIInChI=1S/C22H17N3/c1-2-7-17(8-3-1)15-21-20(11-6-13-24-21)22-19(10-5-14-25-22)18-9-4-12-23-16-18/h1-14,16H,15H2
InChIKeyZAYYUBFQOAMVKU-UHFFFAOYSA-N
XLogP4.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(3-pyridin-3-yl-2-pyridinyl)pyridine?
The IUPAC name of 2-benzyl-3-(3-pyridin-3-yl-2-pyridinyl)pyridine (CID 175335350) is 2-benzyl-3-(3-pyridin-3-yl-2-pyridinyl)pyridine.
What is the SMILES notation for 2-benzyl-3-(3-pyridin-3-yl-2-pyridinyl)pyridine?
The canonical SMILES for 2-benzyl-3-(3-pyridin-3-yl-2-pyridinyl)pyridine is c1ccc(Cc2ncccc2-c2ncccc2-c2cccnc2)cc1.
What is the InChIKey of 2-benzyl-3-(3-pyridin-3-yl-2-pyridinyl)pyridine?
The InChIKey is ZAYYUBFQOAMVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-2-7-17(8-3-1)15-21-20(11-6-13-24-21)22-19(10-5-14-25-22)18-9-4-12-23-16-18/h1-14,16H,15H2.
What are the key properties of 2-benzyl-3-(3-pyridin-3-yl-2-pyridinyl)pyridine?
2-benzyl-3-(3-pyridin-3-yl-2-pyridinyl)pyridine has a molecular weight of 323.40 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(3-pyridin-3-yl-2-pyridinyl)pyridine is sourced from PubChem (CID 175335350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).