3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile

C25H16N4 — CID 58004350

IUPAC3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(C#N)cc(-c3cccc(Cc4ccccn4)n3)c2)c1
InChIInChI=1S/C25H16N4/c26-16-18-5-3-6-20(11-18)21-12-19(17-27)13-22(14-21)25-9-4-8-24(29-25)15-23-7-1-2-10-28-23/h1-14H,15H2
InChIKeyRKXUSYARBSLLEB-UHFFFAOYSA-N
MW372.43 g/mol
LogP5.14
Rot. Bonds4

About 3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile

3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile (PubChem CID 58004350) has the molecular formula C25H16N4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile
PubChem CID58004350
Molecular FormulaC25H16N4
Molecular Weight372.43 g/mol
Exact Mass372.14
IUPAC Name3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(C#N)cc(-c3cccc(Cc4ccccn4)n3)c2)c1
InChIInChI=1S/C25H16N4/c26-16-18-5-3-6-20(11-18)21-12-19(17-27)13-22(14-21)25-9-4-8-24(29-25)15-23-7-1-2-10-28-23/h1-14H,15H2
InChIKeyRKXUSYARBSLLEB-UHFFFAOYSA-N
XLogP5.14
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152380
3-phenyl-5-(3-pyridin-2-ylphenyl)benzonitrile
CID 90393137
3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 146307207
3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile
CID 71140568
3-[3-[4-[2,6-bis(4-pyridin-2-ylphenyl)-4-pyridinyl]phenyl]quinoxalin-2-yl]benzonitrile
CID 146986585
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 176848065
3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile
CID 164828706
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
3-[8-[N-(pyridin-2-ylmethyl)anilino]isoquinolin-3-yl]benzonitrile
CID 90425093
3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile
CID 10016570
ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 91230916
3-(3-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-(4-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;2-ethyl-6-phenylpyridine;tetrakis(iridium);tris(2-methyl-6-phenylpyridine);2-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-dicarbonitrile;4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile
CID 159214969

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile?
The IUPAC name of 3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile (CID 58004350) is 3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile?
The canonical SMILES for 3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile is N#Cc1cccc(-c2cc(C#N)cc(-c3cccc(Cc4ccccn4)n3)c2)c1.
What is the InChIKey of 3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile?
The InChIKey is RKXUSYARBSLLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4/c26-16-18-5-3-6-20(11-18)21-12-19(17-27)13-22(14-21)25-9-4-8-24(29-25)15-23-7-1-2-10-28-23/h1-14H,15H2.
What are the key properties of 3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile?
3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile has a molecular weight of 372.43 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 58004350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).