4-[(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile

C23H16N2 — CID 25129119

IUPAC4-[(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile
SMILESN#Cc1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1
InChIInChI=1S/C23H16N2/c24-15-18-9-7-17(8-10-18)12-22-13-19-4-1-2-5-20(19)14-23(22)21-6-3-11-25-16-21/h1-11,13-14,16H,12H2
InChIKeyLVDYKSOHCUGWHR-UHFFFAOYSA-N
MW320.40 g/mol
LogP5.36
Rot. Bonds3

About 4-[(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile

4-[(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile (PubChem CID 25129119) has the molecular formula C23H16N2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-[(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile
PubChem CID25129119
Molecular FormulaC23H16N2
Molecular Weight320.40 g/mol
Exact Mass320.13
IUPAC Name4-[(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile
SMILESN#Cc1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1
InChIInChI=1S/C23H16N2/c24-15-18-9-7-17(8-10-18)12-22-13-19-4-1-2-5-20(19)14-23(22)21-6-3-11-25-16-21/h1-11,13-14,16H,12H2
InChIKeyLVDYKSOHCUGWHR-UHFFFAOYSA-N
XLogP5.36
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile?
The IUPAC name of 4-[(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile (CID 25129119) is 4-[(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile is N#Cc1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1.
What is the InChIKey of 4-[(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile?
The InChIKey is LVDYKSOHCUGWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2/c24-15-18-9-7-17(8-10-18)12-22-13-19-4-1-2-5-20(19)14-23(22)21-6-3-11-25-16-21/h1-11,13-14,16H,12H2.
What are the key properties of 4-[(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile?
4-[(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile has a molecular weight of 320.40 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyridin-3-ylnaphthalen-2-yl)methyl]benzonitrile is sourced from PubChem (CID 25129119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).