2-[6-[(E)-2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-yl)ethenyl]-3-pyridinyl]benzonitrile

C24H23N3 — CID 143653815

About 2-[6-[(E)-2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-yl)ethenyl]-3-pyridinyl]benzonitrile

2-[6-[(E)-2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-yl)ethenyl]-3-pyridinyl]benzonitrile (PubChem CID 143653815) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[6-[(E)-2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-yl)ethenyl]-3-pyridinyl]benzonitrile.

Molecular Properties

• Compound Name: 2-[6-[(E)-2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-yl)ethenyl]-3-pyridinyl]benzonitrile
• PubChem CID: 143653815
• Molecular Formula: C24H23N3
• Molecular Weight: 353.47 g/mol
• Exact Mass: 353.19
• IUPAC Name: 2-[6-[(E)-2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-yl)ethenyl]-3-pyridinyl]benzonitrile
• SMILES: CC1Cc2[nH]ccc2C(/C=C/c2ccc(-c3ccccc3C#N)cn2)C1C
• InChI: InChI=1S/C24H23N3/c1-16-13-24-23(11-12-26-24)21(17(16)2)10-9-20-8-7-19(15-27-20)22-6-4-3-5-18(22)14-25/h3-12,15-17,21,26H,13H2,1-2H3/b10-9+
• InChIKey: GIFASUQWWMJYHG-MDZDMXLPSA-N
• XLogP: 5.57
• TPSA: 52.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	353.47
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(E)-2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-yl)ethenyl]-3-pyridinyl]benzonitrile?

The IUPAC name of 2-[6-[(E)-2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-yl)ethenyl]-3-pyridinyl]benzonitrile (CID 143653815) is 2-[6-[(E)-2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-yl)ethenyl]-3-pyridinyl]benzonitrile.

What is the SMILES notation for 2-[6-[(E)-2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-yl)ethenyl]-3-pyridinyl]benzonitrile?

The canonical SMILES for 2-[6-[(E)-2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-yl)ethenyl]-3-pyridinyl]benzonitrile is CC1Cc2[nH]ccc2C(/C=C/c2ccc(-c3ccccc3C#N)cn2)C1C.

What is the InChIKey of 2-[6-[(E)-2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-yl)ethenyl]-3-pyridinyl]benzonitrile?

The InChIKey is GIFASUQWWMJYHG-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H23N3/c1-16-13-24-23(11-12-26-24)21(17(16)2)10-9-20-8-7-19(15-27-20)22-6-4-3-5-18(22)14-25/h3-12,15-17,21,26H,13H2,1-2H3/b10-9+.

What are the key properties of 2-[6-[(E)-2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-yl)ethenyl]-3-pyridinyl]benzonitrile?

2-[6-[(E)-2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-yl)ethenyl]-3-pyridinyl]benzonitrile has a molecular weight of 353.47 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(E)-2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-yl)ethenyl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 143653815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).