4-[(1,4-dimethylindol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile

C24H20N4 — CID 45485082

IUPAC4-[(1,4-dimethylindol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2/C=C/c2ccccc2)ccc2c1ccn2C
InChIInChI=1S/C24H20N4/c1-17-21-12-13-28(2)23(21)11-10-22(17)27-24-19(15-26-16-20(24)14-25)9-8-18-6-4-3-5-7-18/h3-13,15-16H,1-2H3,(H,26,27)/b9-8+
InChIKeyOLHUPCIDRDIHRN-CMDGGOBGSA-N
MW364.45 g/mol
LogP5.67
Rot. Bonds4

About 4-[(1,4-dimethylindol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile

4-[(1,4-dimethylindol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile (PubChem CID 45485082) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[(1,4-dimethylindol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(1,4-dimethylindol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
PubChem CID45485082
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name4-[(1,4-dimethylindol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2/C=C/c2ccccc2)ccc2c1ccn2C
InChIInChI=1S/C24H20N4/c1-17-21-12-13-28(2)23(21)11-10-22(17)27-24-19(15-26-16-20(24)14-25)9-8-18-6-4-3-5-7-18/h3-13,15-16H,1-2H3,(H,26,27)/b9-8+
InChIKeyOLHUPCIDRDIHRN-CMDGGOBGSA-N
XLogP5.67
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Paprotrain
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3-((4-benzylpiperazino)methyl)-1H-indole
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9-(4'-Aminophenyl)-9H-pyrido(3,4-b)indole
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4-((E)-2-(1H-Indol-3-YL)-vinyl)-1-methyl-pyridinium; iodide
CID 11325914
Gamma-Carboline
CID 130802
4-Cyanoindole
CID 3817602
Delergotrile
CID 10264850
3-[(4-Phenylpiperazino)methyl]-1h-indole
CID 233952

Frequently Asked Questions

What is the IUPAC name of 4-[(1,4-dimethylindol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[(1,4-dimethylindol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile (CID 45485082) is 4-[(1,4-dimethylindol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(1,4-dimethylindol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(1,4-dimethylindol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile is Cc1c(Nc2c(C#N)cncc2/C=C/c2ccccc2)ccc2c1ccn2C.
What is the InChIKey of 4-[(1,4-dimethylindol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The InChIKey is OLHUPCIDRDIHRN-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H20N4/c1-17-21-12-13-28(2)23(21)11-10-22(17)27-24-19(15-26-16-20(24)14-25)9-8-18-6-4-3-5-7-18/h3-13,15-16H,1-2H3,(H,26,27)/b9-8+.
What are the key properties of 4-[(1,4-dimethylindol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
4-[(1,4-dimethylindol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile has a molecular weight of 364.45 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,4-dimethylindol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 45485082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).