4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile

C₃₀H₂₂N₄O₂ — CID 171396080

About 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile

4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile (PubChem CID 171396080) has the molecular formula C₃₀H₂₂N₄O₂ and a molecular weight of 470.53 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile
• PubChem CID: 171396080
• Molecular Formula: C₃₀H₂₂N₄O₂
• Molecular Weight: 470.53 g/mol
• Exact Mass: 470.17
• IUPAC Name: 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile
• SMILES: COc1cc(OC)cc(-c2cc(-c3c[nH]c4ccccc34)nc(-c3c[nH]c4ccccc34)c2C#N)c1
• InChI: InChI=1S/C30H22N4O2/c1-35-19-11-18(12-20(13-19)36-2)23-14-29(25-16-32-27-9-5-3-7-21(25)27)34-30(24(23)15-31)26-17-33-28-10-6-4-8-22(26)28/h3-14,16-17,32-33H,1-2H3
• InChIKey: NGRBJMDTGMPMDA-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 86.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.53
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile?

The IUPAC name of 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile (CID 171396080) is 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile.

What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile?

The canonical SMILES for 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile is COc1cc(OC)cc(-c2cc(-c3c[nH]c4ccccc34)nc(-c3c[nH]c4ccccc34)c2C#N)c1.

What is the InChIKey of 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile?

The InChIKey is NGRBJMDTGMPMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O2/c1-35-19-11-18(12-20(13-19)36-2)23-14-29(25-16-32-27-9-5-3-7-21(25)27)34-30(24(23)15-31)26-17-33-28-10-6-4-8-22(26)28/h3-14,16-17,32-33H,1-2H3.

What are the key properties of 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile?

4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile has a molecular weight of 470.53 g/mol, XLogP of 6.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 171396080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171396080 — identifiers, structure, computed properties (public domain)

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