4-methyl-7-(1-naphthalen-2-ylethylamino)-1H-indole-3-carbonitrile

C22H19N3 — CID 166342846

IUPAC4-methyl-7-(1-naphthalen-2-ylethylamino)-1H-indole-3-carbonitrile
SMILESCc1ccc(NC(C)c2ccc3ccccc3c2)c2[nH]cc(C#N)c12
InChIInChI=1S/C22H19N3/c1-14-7-10-20(22-21(14)19(12-23)13-24-22)25-15(2)17-9-8-16-5-3-4-6-18(16)11-17/h3-11,13,15,24-25H,1-2H3
InChIKeyJLGHZRGSENQJMM-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.67
Rot. Bonds3

About 4-methyl-7-(1-naphthalen-2-ylethylamino)-1H-indole-3-carbonitrile

4-methyl-7-(1-naphthalen-2-ylethylamino)-1H-indole-3-carbonitrile (PubChem CID 166342846) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-methyl-7-(1-naphthalen-2-ylethylamino)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-7-(1-naphthalen-2-ylethylamino)-1H-indole-3-carbonitrile
PubChem CID166342846
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name4-methyl-7-(1-naphthalen-2-ylethylamino)-1H-indole-3-carbonitrile
SMILESCc1ccc(NC(C)c2ccc3ccccc3c2)c2[nH]cc(C#N)c12
InChIInChI=1S/C22H19N3/c1-14-7-10-20(22-21(14)19(12-23)13-24-22)25-15(2)17-9-8-16-5-3-4-6-18(16)11-17/h3-11,13,15,24-25H,1-2H3
InChIKeyJLGHZRGSENQJMM-UHFFFAOYSA-N
XLogP5.67
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(1-naphthalen-2-ylethylamino)-1H-indole-3-carbonitrile?
The IUPAC name of 4-methyl-7-(1-naphthalen-2-ylethylamino)-1H-indole-3-carbonitrile (CID 166342846) is 4-methyl-7-(1-naphthalen-2-ylethylamino)-1H-indole-3-carbonitrile.
What is the SMILES notation for 4-methyl-7-(1-naphthalen-2-ylethylamino)-1H-indole-3-carbonitrile?
The canonical SMILES for 4-methyl-7-(1-naphthalen-2-ylethylamino)-1H-indole-3-carbonitrile is Cc1ccc(NC(C)c2ccc3ccccc3c2)c2[nH]cc(C#N)c12.
What is the InChIKey of 4-methyl-7-(1-naphthalen-2-ylethylamino)-1H-indole-3-carbonitrile?
The InChIKey is JLGHZRGSENQJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-14-7-10-20(22-21(14)19(12-23)13-24-22)25-15(2)17-9-8-16-5-3-4-6-18(16)11-17/h3-11,13,15,24-25H,1-2H3.
What are the key properties of 4-methyl-7-(1-naphthalen-2-ylethylamino)-1H-indole-3-carbonitrile?
4-methyl-7-(1-naphthalen-2-ylethylamino)-1H-indole-3-carbonitrile has a molecular weight of 325.42 g/mol, XLogP of 5.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(1-naphthalen-2-ylethylamino)-1H-indole-3-carbonitrile is sourced from PubChem (CID 166342846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).