4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile

C13H17N3O2 — CID 138005797

IUPAC4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1NOC(CO)C1CCCC1
InChIInChI=1S/C13H17N3O2/c14-7-11-8-15-6-5-12(11)16-18-13(9-17)10-3-1-2-4-10/h5-6,8,10,13,17H,1-4,9H2,(H,15,16)
InChIKeyARWFBLLWGCPOQO-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.85
Rot. Bonds5

About 4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile

4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile (PubChem CID 138005797) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile
PubChem CID138005797
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1NOC(CO)C1CCCC1
InChIInChI=1S/C13H17N3O2/c14-7-11-8-15-6-5-12(11)16-18-13(9-17)10-3-1-2-4-10/h5-6,8,10,13,17H,1-4,9H2,(H,15,16)
InChIKeyARWFBLLWGCPOQO-UHFFFAOYSA-N
XLogP1.85
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile?
The IUPAC name of 4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile (CID 138005797) is 4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile is N#Cc1cnccc1NOC(CO)C1CCCC1.
What is the InChIKey of 4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile?
The InChIKey is ARWFBLLWGCPOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-7-11-8-15-6-5-12(11)16-18-13(9-17)10-3-1-2-4-10/h5-6,8,10,13,17H,1-4,9H2,(H,15,16).
What are the key properties of 4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile?
4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentyl-2-hydroxyethoxy)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 138005797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).