1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile

C26H25N3 — CID 21201388

IUPAC1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile
SMILESN#Cc1ccc2ccn(CC3CCN(CCc4cccc5ccccc45)C3)c2c1
InChIInChI=1S/C26H25N3/c27-17-20-8-9-24-12-15-29(26(24)16-20)19-21-10-13-28(18-21)14-11-23-6-3-5-22-4-1-2-7-25(22)23/h1-9,12,15-16,21H,10-11,13-14,18-19H2
InChIKeyIEPNPPUBYATIJQ-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.23
Rot. Bonds5

About 1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile

1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile (PubChem CID 21201388) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile.

Molecular Properties

Compound Name1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile
PubChem CID21201388
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile
SMILESN#Cc1ccc2ccn(CC3CCN(CCc4cccc5ccccc45)C3)c2c1
InChIInChI=1S/C26H25N3/c27-17-20-8-9-24-12-15-29(26(24)16-20)19-21-10-13-28(18-21)14-11-23-6-3-5-22-4-1-2-7-25(22)23/h1-9,12,15-16,21H,10-11,13-14,18-19H2
InChIKeyIEPNPPUBYATIJQ-UHFFFAOYSA-N
XLogP5.23
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile?
The IUPAC name of 1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile (CID 21201388) is 1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile.
What is the SMILES notation for 1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile?
The canonical SMILES for 1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile is N#Cc1ccc2ccn(CC3CCN(CCc4cccc5ccccc45)C3)c2c1.
What is the InChIKey of 1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile?
The InChIKey is IEPNPPUBYATIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c27-17-20-8-9-24-12-15-29(26(24)16-20)19-21-10-13-28(18-21)14-11-23-6-3-5-22-4-1-2-7-25(22)23/h1-9,12,15-16,21H,10-11,13-14,18-19H2.
What are the key properties of 1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile?
1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile has a molecular weight of 379.51 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile is sourced from PubChem (CID 21201388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).