5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile

C14H20N4O — CID 55259715

IUPAC5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NCCOC1CCCCC1
InChIInChI=1S/C14H20N4O/c15-9-11-8-12(16)10-18-14(11)17-6-7-19-13-4-2-1-3-5-13/h8,10,13H,1-7,16H2,(H,17,18)
InChIKeyDBAUQOCTFZPIQH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.30
Rot. Bonds5

About 5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile

5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile (PubChem CID 55259715) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile
PubChem CID55259715
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NCCOC1CCCCC1
InChIInChI=1S/C14H20N4O/c15-9-11-8-12(16)10-18-14(11)17-6-7-19-13-4-2-1-3-5-13/h8,10,13H,1-7,16H2,(H,17,18)
InChIKeyDBAUQOCTFZPIQH-UHFFFAOYSA-N
XLogP2.30
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile (CID 55259715) is 5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile is N#Cc1cc(N)cnc1NCCOC1CCCCC1.
What is the InChIKey of 5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile?
The InChIKey is DBAUQOCTFZPIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-9-11-8-12(16)10-18-14(11)17-6-7-19-13-4-2-1-3-5-13/h8,10,13H,1-7,16H2,(H,17,18).
What are the key properties of 5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile?
5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 55259715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).