(3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)pyridin-2-imine

C16H17N3 — CID 170054554

IUPAC(3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)pyridin-2-imine
SMILESC=C/C=N/C1=NC(=N\C=C)/C(=C\CC=C)C=C1C=C
InChIInChI=1S/C16H17N3/c1-5-9-10-14-12-13(7-3)15(18-11-6-2)19-16(14)17-8-4/h5-8,10-12H,1-4,9H2/b14-10-,17-16-,18-11+
InChIKeyWZCIYFVKAOHBGU-NWFZQVFJSA-N
MW251.33 g/mol
LogP3.81
Rot. Bonds5

About (3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)pyridin-2-imine

(3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)pyridin-2-imine (PubChem CID 170054554) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)pyridin-2-imine.

Molecular Properties

Compound Name(3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)pyridin-2-imine
PubChem CID170054554
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name(3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)pyridin-2-imine
SMILESC=C/C=N/C1=NC(=N\C=C)/C(=C\CC=C)C=C1C=C
InChIInChI=1S/C16H17N3/c1-5-9-10-14-12-13(7-3)15(18-11-6-2)19-16(14)17-8-4/h5-8,10-12H,1-4,9H2/b14-10-,17-16-,18-11+
InChIKeyWZCIYFVKAOHBGU-NWFZQVFJSA-N
XLogP3.81
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)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 (3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)pyridin-2-imine?
The IUPAC name of (3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)pyridin-2-imine (CID 170054554) is (3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)pyridin-2-imine.
What is the SMILES notation for (3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)pyridin-2-imine?
The canonical SMILES for (3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)pyridin-2-imine is C=C/C=N/C1=NC(=N\C=C)/C(=C\CC=C)C=C1C=C.
What is the InChIKey of (3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)pyridin-2-imine?
The InChIKey is WZCIYFVKAOHBGU-NWFZQVFJSA-N. The full InChI is InChI=1S/C16H17N3/c1-5-9-10-14-12-13(7-3)15(18-11-6-2)19-16(14)17-8-4/h5-8,10-12H,1-4,9H2/b14-10-,17-16-,18-11+.
What are the key properties of (3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)pyridin-2-imine?
(3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)pyridin-2-imine has a molecular weight of 251.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-but-3-enylidene-N,5-bis(ethenyl)-6-(prop-2-enylideneamino)pyridin-2-imine is sourced from PubChem (CID 170054554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).