2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium

C17H19N4+ — CID 143091594

IUPAC2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium
SMILESC=C/C=C\C=[NH+]\CCN1C(C)=CC(=C(C#N)C#N)C=C1C
InChIInChI=1S/C17H18N4/c1-4-5-6-7-20-8-9-21-14(2)10-16(11-15(21)3)17(12-18)13-19/h4-7,10-11H,1,8-9H2,2-3H3/p+1/b6-5-,20-7+
InChIKeyRYCHUGGODZWGMV-GNTSWZRDSA-O
MW279.37 g/mol
LogP1.35
Rot. Bonds5

About 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium

2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium (PubChem CID 143091594) has the molecular formula C17H19N4+ and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium.

Molecular Properties

Compound Name2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium
PubChem CID143091594
Molecular FormulaC17H19N4+
Molecular Weight279.37 g/mol
Exact Mass279.16
IUPAC Name2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium
SMILESC=C/C=C\C=[NH+]\CCN1C(C)=CC(=C(C#N)C#N)C=C1C
InChIInChI=1S/C17H18N4/c1-4-5-6-7-20-8-9-21-14(2)10-16(11-15(21)3)17(12-18)13-19/h4-7,10-11H,1,8-9H2,2-3H3/p+1/b6-5-,20-7+
InChIKeyRYCHUGGODZWGMV-GNTSWZRDSA-O
XLogP1.35
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium 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-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium?
The IUPAC name of 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium (CID 143091594) is 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium.
What is the SMILES notation for 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium?
The canonical SMILES for 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium is C=C/C=C\C=[NH+]\CCN1C(C)=CC(=C(C#N)C#N)C=C1C.
What is the InChIKey of 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium?
The InChIKey is RYCHUGGODZWGMV-GNTSWZRDSA-O. The full InChI is InChI=1S/C17H18N4/c1-4-5-6-7-20-8-9-21-14(2)10-16(11-15(21)3)17(12-18)13-19/h4-7,10-11H,1,8-9H2,2-3H3/p+1/b6-5-,20-7+.
What are the key properties of 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium?
2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium has a molecular weight of 279.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-[(2Z)-penta-2,4-dienylidene]azanium is sourced from PubChem (CID 143091594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).