methyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium

C20H19N5+2 — CID 91805314

IUPACmethyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium
SMILESC[N+](=C1NC(=[N+](C)c2ccccn2)c2ccccc21)c1ccccn1
InChIInChI=1S/C20H18N5/c1-24(17-11-5-7-13-21-17)19-15-9-3-4-10-16(15)20(23-19)25(2)18-12-6-8-14-22-18/h3-14H,1-2H3/q+1/p+1
InChIKeyONJBTEAVMQMKBJ-UHFFFAOYSA-O
MW329.41 g/mol
LogP2.52
Rot. Bonds2

About methyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium

methyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium (PubChem CID 91805314) has the molecular formula C20H19N5+2 and a molecular weight of 329.41 g/mol. Its IUPAC name is methyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium.

Molecular Properties

Compound Namemethyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium
PubChem CID91805314
Molecular FormulaC20H19N5+2
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Namemethyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium
SMILESC[N+](=C1NC(=[N+](C)c2ccccn2)c2ccccc21)c1ccccn1
InChIInChI=1S/C20H18N5/c1-24(17-11-5-7-13-21-17)19-15-9-3-4-10-16(15)20(23-19)25(2)18-12-6-8-14-22-18/h3-14H,1-2H3/q+1/p+1
InChIKeyONJBTEAVMQMKBJ-UHFFFAOYSA-O
XLogP2.52
TPSA43.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze methyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium with MolForge

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

Launch Full Analysis

Related Compounds

Tripelennamine
CID 5587
Mirtazapine
CID 4205
Tripelennamine Hydrochloride
CID 9066
1-Isoquinolinamine
CID 73742
WZ 811
CID 11565518
2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100
(-)-Mirtazapine
CID 3085219
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
Thiourea, N-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-N'-2-pyridinyl-
CID 3073135
Esmirtazapine
CID 3085218
5-Fluoro-2-((4-(2-pyridinyl)-1-piperazinyl)methyl)-1H-indole
CID 9796720
1-(Piperazin-1-yl)isoquinoline
CID 15887436

Frequently Asked Questions

What is the IUPAC name of methyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium?
The IUPAC name of methyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium (CID 91805314) is methyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium.
What is the SMILES notation for methyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium?
The canonical SMILES for methyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium is C[N+](=C1NC(=[N+](C)c2ccccn2)c2ccccc21)c1ccccn1.
What is the InChIKey of methyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium?
The InChIKey is ONJBTEAVMQMKBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18N5/c1-24(17-11-5-7-13-21-17)19-15-9-3-4-10-16(15)20(23-19)25(2)18-12-6-8-14-22-18/h3-14H,1-2H3/q+1/p+1.
What are the key properties of methyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium?
methyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium has a molecular weight of 329.41 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-[methyl(pyridin-2-yl)azaniumylidene]isoindol-1-ylidene]-pyridin-2-ylazanium is sourced from PubChem (CID 91805314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).