4-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile

C20H13N3 — CID 14231174

IUPAC4-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile
SMILESN#Cc1ccc(C(c2ccc(C#N)cc2)c2cccnc2)cc1
InChIInChI=1S/C20H13N3/c21-12-15-3-7-17(8-4-15)20(19-2-1-11-23-14-19)18-9-5-16(13-22)6-10-18/h1-11,14,20H
InChIKeyRLVLUGKCKPHKAF-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.01
Rot. Bonds3

About 4-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile

4-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile (PubChem CID 14231174) has the molecular formula C20H13N3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile
PubChem CID14231174
Molecular FormulaC20H13N3
Molecular Weight295.35 g/mol
Exact Mass295.11
IUPAC Name4-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile
SMILESN#Cc1ccc(C(c2ccc(C#N)cc2)c2cccnc2)cc1
InChIInChI=1S/C20H13N3/c21-12-15-3-7-17(8-4-15)20(19-2-1-11-23-14-19)18-9-5-16(13-22)6-10-18/h1-11,14,20H
InChIKeyRLVLUGKCKPHKAF-UHFFFAOYSA-N
XLogP4.01
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile?
The IUPAC name of 4-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile (CID 14231174) is 4-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile.
What is the SMILES notation for 4-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile?
The canonical SMILES for 4-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile is N#Cc1ccc(C(c2ccc(C#N)cc2)c2cccnc2)cc1.
What is the InChIKey of 4-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile?
The InChIKey is RLVLUGKCKPHKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3/c21-12-15-3-7-17(8-4-15)20(19-2-1-11-23-14-19)18-9-5-16(13-22)6-10-18/h1-11,14,20H.
What are the key properties of 4-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile?
4-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile has a molecular weight of 295.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile is sourced from PubChem (CID 14231174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).