3-[3-[methyl(2-phenylethyl)amino]cyclopentyl]-1H-indole-5-carbonitrile

C23H25N3 — CID 10066050

IUPAC3-[3-[methyl(2-phenylethyl)amino]cyclopentyl]-1H-indole-5-carbonitrile
SMILESCN(CCc1ccccc1)C1CCC(c2c[nH]c3ccc(C#N)cc23)C1
InChIInChI=1S/C23H25N3/c1-26(12-11-17-5-3-2-4-6-17)20-9-8-19(14-20)22-16-25-23-10-7-18(15-24)13-21(22)23/h2-7,10,13,16,19-20,25H,8-9,11-12,14H2,1H3
InChIKeyUWAQQMMDYFJRCC-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.85
Rot. Bonds5

About 3-[3-[methyl(2-phenylethyl)amino]cyclopentyl]-1H-indole-5-carbonitrile

3-[3-[methyl(2-phenylethyl)amino]cyclopentyl]-1H-indole-5-carbonitrile (PubChem CID 10066050) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-[3-[methyl(2-phenylethyl)amino]cyclopentyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[3-[methyl(2-phenylethyl)amino]cyclopentyl]-1H-indole-5-carbonitrile
PubChem CID10066050
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name3-[3-[methyl(2-phenylethyl)amino]cyclopentyl]-1H-indole-5-carbonitrile
SMILESCN(CCc1ccccc1)C1CCC(c2c[nH]c3ccc(C#N)cc23)C1
InChIInChI=1S/C23H25N3/c1-26(12-11-17-5-3-2-4-6-17)20-9-8-19(14-20)22-16-25-23-10-7-18(15-24)13-21(22)23/h2-7,10,13,16,19-20,25H,8-9,11-12,14H2,1H3
InChIKeyUWAQQMMDYFJRCC-UHFFFAOYSA-N
XLogP4.85
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[methyl(2-phenylethyl)amino]cyclopentyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[3-[methyl(2-phenylethyl)amino]cyclopentyl]-1H-indole-5-carbonitrile (CID 10066050) is 3-[3-[methyl(2-phenylethyl)amino]cyclopentyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[3-[methyl(2-phenylethyl)amino]cyclopentyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[3-[methyl(2-phenylethyl)amino]cyclopentyl]-1H-indole-5-carbonitrile is CN(CCc1ccccc1)C1CCC(c2c[nH]c3ccc(C#N)cc23)C1.
What is the InChIKey of 3-[3-[methyl(2-phenylethyl)amino]cyclopentyl]-1H-indole-5-carbonitrile?
The InChIKey is UWAQQMMDYFJRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3/c1-26(12-11-17-5-3-2-4-6-17)20-9-8-19(14-20)22-16-25-23-10-7-18(15-24)13-21(22)23/h2-7,10,13,16,19-20,25H,8-9,11-12,14H2,1H3.
What are the key properties of 3-[3-[methyl(2-phenylethyl)amino]cyclopentyl]-1H-indole-5-carbonitrile?
3-[3-[methyl(2-phenylethyl)amino]cyclopentyl]-1H-indole-5-carbonitrile has a molecular weight of 343.47 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl(2-phenylethyl)amino]cyclopentyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 10066050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).