4-[(4,7-dimethyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile

C24H20N4 — CID 45485067

IUPAC4-[(4,7-dimethyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2/C=C/c2ccccc2)cc(C)c2[nH]ccc12
InChIInChI=1S/C24H20N4/c1-16-12-22(17(2)21-10-11-27-23(16)21)28-24-19(14-26-15-20(24)13-25)9-8-18-6-4-3-5-7-18/h3-12,14-15,27H,1-2H3,(H,26,28)/b9-8+
InChIKeyPOAUSQBRASMNQO-CMDGGOBGSA-N
MW364.45 g/mol
LogP5.97
Rot. Bonds4

About 4-[(4,7-dimethyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile

4-[(4,7-dimethyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile (PubChem CID 45485067) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[(4,7-dimethyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(4,7-dimethyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
PubChem CID45485067
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name4-[(4,7-dimethyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2/C=C/c2ccccc2)cc(C)c2[nH]ccc12
InChIInChI=1S/C24H20N4/c1-16-12-22(17(2)21-10-11-27-23(16)21)28-24-19(14-26-15-20(24)13-25)9-8-18-6-4-3-5-7-18/h3-12,14-15,27H,1-2H3,(H,26,28)/b9-8+
InChIKeyPOAUSQBRASMNQO-CMDGGOBGSA-N
XLogP5.97
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,7-dimethyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[(4,7-dimethyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile (CID 45485067) is 4-[(4,7-dimethyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(4,7-dimethyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(4,7-dimethyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile is Cc1c(Nc2c(C#N)cncc2/C=C/c2ccccc2)cc(C)c2[nH]ccc12.
What is the InChIKey of 4-[(4,7-dimethyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The InChIKey is POAUSQBRASMNQO-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H20N4/c1-16-12-22(17(2)21-10-11-27-23(16)21)28-24-19(14-26-15-20(24)13-25)9-8-18-6-4-3-5-7-18/h3-12,14-15,27H,1-2H3,(H,26,28)/b9-8+.
What are the key properties of 4-[(4,7-dimethyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
4-[(4,7-dimethyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile has a molecular weight of 364.45 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,7-dimethyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 45485067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).