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

IUPAC6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile
SMILESCc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1C=Cc1ccc(CNCCc2cccnc2)cc1
InChIInChI=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)
InChIKeyQGMYPLNWULGBJV-UHFFFAOYSA-N
MW498.63 g/mol
LogP6.69
Rot. Bonds9

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 Name6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile
PubChem CID91167596
Molecular FormulaC32H30N6
Molecular Weight498.63 g/mol
Exact Mass498.25
IUPAC Name6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile
SMILESCc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1C=Cc1ccc(CNCCc2cccnc2)cc1
InChIInChI=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)
InChIKeyQGMYPLNWULGBJV-UHFFFAOYSA-N
XLogP6.69
TPSA89.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 56.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).