2-(2-pyridin-2-yl-1H-indol-3-yl)cyclopentane-1-carbonitrile

C19H17N3 — CID 151215401

IUPAC2-(2-pyridin-2-yl-1H-indol-3-yl)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1c1c(-c2ccccn2)[nH]c2ccccc12
InChIInChI=1S/C19H17N3/c20-12-13-6-5-8-14(13)18-15-7-1-2-9-16(15)22-19(18)17-10-3-4-11-21-17/h1-4,7,9-11,13-14,22H,5-6,8H2
InChIKeyNLDMXZPISUKXDT-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.64
Rot. Bonds2

About 2-(2-pyridin-2-yl-1H-indol-3-yl)cyclopentane-1-carbonitrile

2-(2-pyridin-2-yl-1H-indol-3-yl)cyclopentane-1-carbonitrile (PubChem CID 151215401) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-1H-indol-3-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-1H-indol-3-yl)cyclopentane-1-carbonitrile
PubChem CID151215401
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name2-(2-pyridin-2-yl-1H-indol-3-yl)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1c1c(-c2ccccn2)[nH]c2ccccc12
InChIInChI=1S/C19H17N3/c20-12-13-6-5-8-14(13)18-15-7-1-2-9-16(15)22-19(18)17-10-3-4-11-21-17/h1-4,7,9-11,13-14,22H,5-6,8H2
InChIKeyNLDMXZPISUKXDT-UHFFFAOYSA-N
XLogP4.64
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-1H-indol-3-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-pyridin-2-yl-1H-indol-3-yl)cyclopentane-1-carbonitrile (CID 151215401) is 2-(2-pyridin-2-yl-1H-indol-3-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-pyridin-2-yl-1H-indol-3-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-pyridin-2-yl-1H-indol-3-yl)cyclopentane-1-carbonitrile is N#CC1CCCC1c1c(-c2ccccn2)[nH]c2ccccc12.
What is the InChIKey of 2-(2-pyridin-2-yl-1H-indol-3-yl)cyclopentane-1-carbonitrile?
The InChIKey is NLDMXZPISUKXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c20-12-13-6-5-8-14(13)18-15-7-1-2-9-16(15)22-19(18)17-10-3-4-11-21-17/h1-4,7,9-11,13-14,22H,5-6,8H2.
What are the key properties of 2-(2-pyridin-2-yl-1H-indol-3-yl)cyclopentane-1-carbonitrile?
2-(2-pyridin-2-yl-1H-indol-3-yl)cyclopentane-1-carbonitrile has a molecular weight of 287.37 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-1H-indol-3-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 151215401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).