2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine

C33H33N5O4 — CID 102518757

IUPAC2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine
SMILESc1ccc(-c2cccc(COCCOCc3cccc(COCCOCc4cccc(-c5ccccn5)n4)n3)n2)nc1
InChIInChI=1S/C33H33N5O4/c1-3-16-34-30(12-1)32-14-6-10-28(37-32)24-41-20-18-39-22-26-8-5-9-27(36-26)23-40-19-21-42-25-29-11-7-15-33(38-29)31-13-2-4-17-35-31/h1-17H,18-25H2
InChIKeyQNRKLRMUHBMFHN-UHFFFAOYSA-N
MW563.66 g/mol
LogP5.46
Rot. Bonds16

About 2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine

2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine (PubChem CID 102518757) has the molecular formula C33H33N5O4 and a molecular weight of 563.66 g/mol. Its IUPAC name is 2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine.

Molecular Properties

Compound Name2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine
PubChem CID102518757
Molecular FormulaC33H33N5O4
Molecular Weight563.66 g/mol
Exact Mass563.25
IUPAC Name2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine
SMILESc1ccc(-c2cccc(COCCOCc3cccc(COCCOCc4cccc(-c5ccccn5)n4)n3)n2)nc1
InChIInChI=1S/C33H33N5O4/c1-3-16-34-30(12-1)32-14-6-10-28(37-32)24-41-20-18-39-22-26-8-5-9-27(36-26)23-40-19-21-42-25-29-11-7-15-33(38-29)31-13-2-4-17-35-31/h1-17H,18-25H2
InChIKeyQNRKLRMUHBMFHN-UHFFFAOYSA-N
XLogP5.46
TPSA101.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine?
The IUPAC name of 2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine (CID 102518757) is 2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine.
What is the SMILES notation for 2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine?
The canonical SMILES for 2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine is c1ccc(-c2cccc(COCCOCc3cccc(COCCOCc4cccc(-c5ccccn5)n4)n3)n2)nc1.
What is the InChIKey of 2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine?
The InChIKey is QNRKLRMUHBMFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O4/c1-3-16-34-30(12-1)32-14-6-10-28(37-32)24-41-20-18-39-22-26-8-5-9-27(36-26)23-40-19-21-42-25-29-11-7-15-33(38-29)31-13-2-4-17-35-31/h1-17H,18-25H2.
What are the key properties of 2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine?
2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine has a molecular weight of 563.66 g/mol, XLogP of 5.46, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]ethoxymethyl]pyridine is sourced from PubChem (CID 102518757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).