6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile

C32H30N6 — CID 91167596

About 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile

6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile (PubChem CID 91167596) has the molecular formula C32H30N6 and a molecular weight of 498.63 g/mol. Its IUPAC name is 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile
• PubChem CID: 91167596
• Molecular Formula: C32H30N6
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.25
• IUPAC Name: 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile
• SMILES: Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1C=Cc1ccc(CNCCc2cccnc2)cc1
• InChI: InChI=1S/C32H30N6/c1-22-28-14-17-36-31(28)12-11-30(22)38-32-27(18-33)21-37-23(2)29(32)10-9-24-5-7-26(8-6-24)20-35-16-13-25-4-3-15-34-19-25/h3-12,14-15,17,19,21,35-36H,13,16,20H2,1-2H3,(H,37,38)
• InChIKey: QGMYPLNWULGBJV-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 89.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile?

The IUPAC name of 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile (CID 91167596) is 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile?

The canonical SMILES for 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile is Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1C=Cc1ccc(CNCCc2cccnc2)cc1.

What is the InChIKey of 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile?

The InChIKey is QGMYPLNWULGBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N6/c1-22-28-14-17-36-31(28)12-11-30(22)38-32-27(18-33)21-37-23(2)29(32)10-9-24-5-7-26(8-6-24)20-35-16-13-25-4-3-15-34-19-25/h3-12,14-15,17,19,21,35-36H,13,16,20H2,1-2H3,(H,37,38).

What are the key properties of 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile?

6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile has a molecular weight of 498.63 g/mol, XLogP of 6.69, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 91167596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).