3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine

C21H22N2 — CID 134387420

IUPAC3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine
SMILESC=C/C=C\c1c(C=C)c(/C=C\C=C)/c(=N/C=C)n(C=C)c1C=C
InChIInChI=1S/C21H22N2/c1-7-13-15-18-17(9-3)19(16-14-8-2)21(22-11-5)23(12-6)20(18)10-4/h7-16H,1-6H2/b15-13-,16-14-,22-21-
InChIKeyXXSLTSIATHAMIE-ZILZRECQSA-N
MW302.42 g/mol
LogP5.32
Rot. Bonds8

About 3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine

3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine (PubChem CID 134387420) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine.

Molecular Properties

Compound Name3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine
PubChem CID134387420
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine
SMILESC=C/C=C\c1c(C=C)c(/C=C\C=C)/c(=N/C=C)n(C=C)c1C=C
InChIInChI=1S/C21H22N2/c1-7-13-15-18-17(9-3)19(16-14-8-2)21(22-11-5)23(12-6)20(18)10-4/h7-16H,1-6H2/b15-13-,16-14-,22-21-
InChIKeyXXSLTSIATHAMIE-ZILZRECQSA-N
XLogP5.32
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine 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 3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine?
The IUPAC name of 3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine (CID 134387420) is 3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine.
What is the SMILES notation for 3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine?
The canonical SMILES for 3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine is C=C/C=C\c1c(C=C)c(/C=C\C=C)/c(=N/C=C)n(C=C)c1C=C.
What is the InChIKey of 3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine?
The InChIKey is XXSLTSIATHAMIE-ZILZRECQSA-N. The full InChI is InChI=1S/C21H22N2/c1-7-13-15-18-17(9-3)19(16-14-8-2)21(22-11-5)23(12-6)20(18)10-4/h7-16H,1-6H2/b15-13-,16-14-,22-21-.
What are the key properties of 3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine?
3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine has a molecular weight of 302.42 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine is sourced from PubChem (CID 134387420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).