5-[(2S)-2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

C16H22N4 — CID 164631418

IUPAC5-[(2S)-2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC[C@@H]2CCC2CCCC2)cn1
InChIInChI=1S/C16H22N4/c17-10-14-11-19-16(12-18-14)20-9-3-6-15(20)8-7-13-4-1-2-5-13/h11-13,15H,1-9H2/t15-/m1/s1
InChIKeySBSRSJLGISIQID-OAHLLOKOSA-N
MW270.38 g/mol
LogP3.29
Rot. Bonds4

About 5-[(2S)-2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

5-[(2S)-2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 164631418) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[(2S)-2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2S)-2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID164631418
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-[(2S)-2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC[C@@H]2CCC2CCCC2)cn1
InChIInChI=1S/C16H22N4/c17-10-14-11-19-16(12-18-14)20-9-3-6-15(20)8-7-13-4-1-2-5-13/h11-13,15H,1-9H2/t15-/m1/s1
InChIKeySBSRSJLGISIQID-OAHLLOKOSA-N
XLogP3.29
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2S)-2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 164631418) is 5-[(2S)-2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2S)-2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2S)-2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCC[C@@H]2CCC2CCCC2)cn1.
What is the InChIKey of 5-[(2S)-2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is SBSRSJLGISIQID-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N4/c17-10-14-11-19-16(12-18-14)20-9-3-6-15(20)8-7-13-4-1-2-5-13/h11-13,15H,1-9H2/t15-/m1/s1.
What are the key properties of 5-[(2S)-2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
5-[(2S)-2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 164631418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).