3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile

C14H19N3 — CID 62893680

IUPAC3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNCCC1CCCC1
InChIInChI=1S/C14H19N3/c15-10-14-13(6-3-8-17-14)11-16-9-7-12-4-1-2-5-12/h3,6,8,12,16H,1-2,4-5,7,9,11H2
InChIKeyJOARPAVSPXIFLF-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.62
Rot. Bonds5

About 3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile

3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile (PubChem CID 62893680) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile
PubChem CID62893680
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNCCC1CCCC1
InChIInChI=1S/C14H19N3/c15-10-14-13(6-3-8-17-14)11-16-9-7-12-4-1-2-5-12/h3,6,8,12,16H,1-2,4-5,7,9,11H2
InChIKeyJOARPAVSPXIFLF-UHFFFAOYSA-N
XLogP2.62
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile (CID 62893680) is 3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CNCCC1CCCC1.
What is the InChIKey of 3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile?
The InChIKey is JOARPAVSPXIFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-10-14-13(6-3-8-17-14)11-16-9-7-12-4-1-2-5-12/h3,6,8,12,16H,1-2,4-5,7,9,11H2.
What are the key properties of 3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile?
3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62893680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).