6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine

C16H22N4O3 — CID 102588999

IUPAC6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine
SMILESNc1cccc(COCCOCCOCc2cccc(N)n2)n1
InChIInChI=1S/C16H22N4O3/c17-15-5-1-3-13(19-15)11-22-9-7-21-8-10-23-12-14-4-2-6-16(18)20-14/h1-6H,7-12H2,(H2,17,19)(H2,18,20)
InChIKeyIWNZNPLUYBAALY-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.39
Rot. Bonds10

About 6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine

6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine (PubChem CID 102588999) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine
PubChem CID102588999
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine
SMILESNc1cccc(COCCOCCOCc2cccc(N)n2)n1
InChIInChI=1S/C16H22N4O3/c17-15-5-1-3-13(19-15)11-22-9-7-21-8-10-23-12-14-4-2-6-16(18)20-14/h1-6H,7-12H2,(H2,17,19)(H2,18,20)
InChIKeyIWNZNPLUYBAALY-UHFFFAOYSA-N
XLogP1.39
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine?
The IUPAC name of 6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine (CID 102588999) is 6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine.
What is the SMILES notation for 6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine?
The canonical SMILES for 6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine is Nc1cccc(COCCOCCOCc2cccc(N)n2)n1.
What is the InChIKey of 6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine?
The InChIKey is IWNZNPLUYBAALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c17-15-5-1-3-13(19-15)11-22-9-7-21-8-10-23-12-14-4-2-6-16(18)20-14/h1-6H,7-12H2,(H2,17,19)(H2,18,20).
What are the key properties of 6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine?
6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine has a molecular weight of 318.38 g/mol, XLogP of 1.39, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine is sourced from PubChem (CID 102588999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).