6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-pyridin-4-ylethenyl]pyridine-3-carbonitrile

C23H19N5 — CID 68546204

IUPAC6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-pyridin-4-ylethenyl]pyridine-3-carbonitrile
SMILESCc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1/C=C/c1ccncc1
InChIInChI=1S/C23H19N5/c1-15-19-9-12-26-22(19)6-5-21(15)28-23-18(13-24)14-27-16(2)20(23)4-3-17-7-10-25-11-8-17/h3-12,14,26H,1-2H3,(H,27,28)/b4-3+
InChIKeyXRXANZJSYXEDNS-ONEGZZNKSA-N
MW365.44 g/mol
LogP5.36
Rot. Bonds4

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

6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-pyridin-4-ylethenyl]pyridine-3-carbonitrile (PubChem CID 68546204) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-pyridin-4-ylethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-pyridin-4-ylethenyl]pyridine-3-carbonitrile
PubChem CID68546204
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-pyridin-4-ylethenyl]pyridine-3-carbonitrile
SMILESCc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1/C=C/c1ccncc1
InChIInChI=1S/C23H19N5/c1-15-19-9-12-26-22(19)6-5-21(15)28-23-18(13-24)14-27-16(2)20(23)4-3-17-7-10-25-11-8-17/h3-12,14,26H,1-2H3,(H,27,28)/b4-3+
InChIKeyXRXANZJSYXEDNS-ONEGZZNKSA-N
XLogP5.36
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-pyridin-4-ylethenyl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-pyridin-4-ylethenyl]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-pyridin-4-ylethenyl]pyridine-3-carbonitrile (CID 68546204) is 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-pyridin-4-ylethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-pyridin-4-ylethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-pyridin-4-ylethenyl]pyridine-3-carbonitrile is Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1/C=C/c1ccncc1.
What is the InChIKey of 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-pyridin-4-ylethenyl]pyridine-3-carbonitrile?
The InChIKey is XRXANZJSYXEDNS-ONEGZZNKSA-N. The full InChI is InChI=1S/C23H19N5/c1-15-19-9-12-26-22(19)6-5-21(15)28-23-18(13-24)14-27-16(2)20(23)4-3-17-7-10-25-11-8-17/h3-12,14,26H,1-2H3,(H,27,28)/b4-3+.
What are the key properties of 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-pyridin-4-ylethenyl]pyridine-3-carbonitrile?
6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-pyridin-4-ylethenyl]pyridine-3-carbonitrile has a molecular weight of 365.44 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-pyridin-4-ylethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 68546204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).