4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine

C28H44N2 — CID 4285174

IUPAC4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine
SMILESCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1
InChIInChI=1S/C28H44N2/c1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3
InChIKeyVHJFWJXYEWHCGD-UHFFFAOYSA-N
MW408.67 g/mol
LogP8.73
Rot. Bonds17

About 4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine

4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine (PubChem CID 4285174) has the molecular formula C28H44N2 and a molecular weight of 408.67 g/mol. Its IUPAC name is 4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine
PubChem CID4285174
Molecular FormulaC28H44N2
Molecular Weight408.67 g/mol
Exact Mass408.35
IUPAC Name4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine
SMILESCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1
InChIInChI=1S/C28H44N2/c1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3
InChIKeyVHJFWJXYEWHCGD-UHFFFAOYSA-N
XLogP8.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.67
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-nonyl-2-(4-nonyl-2-pyridinyl)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 4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine?
The IUPAC name of 4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine (CID 4285174) is 4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine.
What is the SMILES notation for 4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine?
The canonical SMILES for 4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine is CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.
What is the InChIKey of 4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine?
The InChIKey is VHJFWJXYEWHCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2/c1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3.
What are the key properties of 4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine?
4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine has a molecular weight of 408.67 g/mol, XLogP of 8.73, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine is sourced from PubChem (CID 4285174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).