3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile

C20H13N3 — CID 147128888

IUPAC3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1
InChIInChI=1S/C20H13N3/c21-11-14-3-1-4-16(9-14)20-19(5-2-8-23-20)15-6-7-17-12-22-13-18(17)10-15/h1-10,13H,12H2
InChIKeyBPVAZZZEKNXSAE-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.22
Rot. Bonds2

About 3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile

3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile (PubChem CID 147128888) has the molecular formula C20H13N3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile
PubChem CID147128888
Molecular FormulaC20H13N3
Molecular Weight295.35 g/mol
Exact Mass295.11
IUPAC Name3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1
InChIInChI=1S/C20H13N3/c21-11-14-3-1-4-16(9-14)20-19(5-2-8-23-20)15-6-7-17-12-22-13-18(17)10-15/h1-10,13H,12H2
InChIKeyBPVAZZZEKNXSAE-UHFFFAOYSA-N
XLogP4.22
TPSA49.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[3-(1H-isoindol-5-yl)-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

5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole
CID 146848486
4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol
CID 147129959
3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile
CID 139495116
3-quinolin-8-ylbenzonitrile
CID 4189045
3-(2-cyclopropyl-3-pyridinyl)benzonitrile
CID 22317919
3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544391
3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
CID 18754834
3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile
CID 168822050
3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 146984250
3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377672
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 134317886
4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile
CID 71022063

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile?
The IUPAC name of 3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile (CID 147128888) is 3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile?
The canonical SMILES for 3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile is N#Cc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.
What is the InChIKey of 3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile?
The InChIKey is BPVAZZZEKNXSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3/c21-11-14-3-1-4-16(9-14)20-19(5-2-8-23-20)15-6-7-17-12-22-13-18(17)10-15/h1-10,13H,12H2.
What are the key properties of 3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile?
3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile has a molecular weight of 295.35 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 147128888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).