4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane

C20H23N4+ — CID 159658460

IUPAC4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane
SMILESC.Cc1cccc(/N=N/c2ccc(Nc3ccccc3)cc2)[n+]1C
InChIInChI=1S/C19H18N4.CH4/c1-15-7-6-10-19(23(15)2)22-21-18-13-11-17(12-14-18)20-16-8-4-3-5-9-16;/h3-14H,1-2H3;1H4/p+1
InChIKeyMSMBJLPEOPFLOG-UHFFFAOYSA-O
MW319.43 g/mol
LogP5.61
Rot. Bonds4

About 4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane

4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane (PubChem CID 159658460) has the molecular formula C20H23N4+ and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane.

Molecular Properties

Compound Name4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane
PubChem CID159658460
Molecular FormulaC20H23N4+
Molecular Weight319.43 g/mol
Exact Mass319.19
IUPAC Name4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane
SMILESC.Cc1cccc(/N=N/c2ccc(Nc3ccccc3)cc2)[n+]1C
InChIInChI=1S/C19H18N4.CH4/c1-15-7-6-10-19(23(15)2)22-21-18-13-11-17(12-14-18)20-16-8-4-3-5-9-16;/h3-14H,1-2H3;1H4/p+1
InChIKeyMSMBJLPEOPFLOG-UHFFFAOYSA-O
XLogP5.61
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane 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-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane?
The IUPAC name of 4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane (CID 159658460) is 4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane.
What is the SMILES notation for 4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane?
The canonical SMILES for 4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane is C.Cc1cccc(/N=N/c2ccc(Nc3ccccc3)cc2)[n+]1C.
What is the InChIKey of 4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane?
The InChIKey is MSMBJLPEOPFLOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18N4.CH4/c1-15-7-6-10-19(23(15)2)22-21-18-13-11-17(12-14-18)20-16-8-4-3-5-9-16;/h3-14H,1-2H3;1H4/p+1.
What are the key properties of 4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane?
4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane has a molecular weight of 319.43 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline;methane is sourced from PubChem (CID 159658460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).