5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentan-1-amine

C20H22N4O — CID 11013075

IUPAC5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentan-1-amine
SMILESNCCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C20H22N4O/c21-10-4-1-7-13-25-16-14-19(17-8-2-5-11-22-17)24-20(15-16)18-9-3-6-12-23-18/h2-3,5-6,8-9,11-12,14-15H,1,4,7,10,13,21H2
InChIKeyZTBZPLQOVHBWDD-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.71
Rot. Bonds8

About 5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentan-1-amine

5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentan-1-amine (PubChem CID 11013075) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentan-1-amine.

Molecular Properties

Compound Name5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentan-1-amine
PubChem CID11013075
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentan-1-amine
SMILESNCCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C20H22N4O/c21-10-4-1-7-13-25-16-14-19(17-8-2-5-11-22-17)24-20(15-16)18-9-3-6-12-23-18/h2-3,5-6,8-9,11-12,14-15H,1,4,7,10,13,21H2
InChIKeyZTBZPLQOVHBWDD-UHFFFAOYSA-N
XLogP3.71
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
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-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentan-1-amine?
The IUPAC name of 5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentan-1-amine (CID 11013075) is 5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentan-1-amine.
What is the SMILES notation for 5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentan-1-amine?
The canonical SMILES for 5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentan-1-amine is NCCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of 5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentan-1-amine?
The InChIKey is ZTBZPLQOVHBWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-10-4-1-7-13-25-16-14-19(17-8-2-5-11-22-17)24-20(15-16)18-9-3-6-12-23-18/h2-3,5-6,8-9,11-12,14-15H,1,4,7,10,13,21H2.
What are the key properties of 5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentan-1-amine?
5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentan-1-amine has a molecular weight of 334.42 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentan-1-amine is sourced from PubChem (CID 11013075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).