4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline

C15H18N4O — CID 23806

IUPAC4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline
SMILESCc1cc(/N=N/c2ccc(N(C)C)cc2)cc(C)[n+]1[O-]
InChIInChI=1S/C15H18N4O/c1-11-9-14(10-12(2)19(11)20)17-16-13-5-7-15(8-6-13)18(3)4/h5-10H,1-4H3/b17-16+
InChIKeyCIUABDWQKGUUIS-WUKNDPDISA-N
MW270.34 g/mol
LogP3.42
Rot. Bonds3

About 4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline

4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline (PubChem CID 23806) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline
PubChem CID23806
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline
SMILESCc1cc(/N=N/c2ccc(N(C)C)cc2)cc(C)[n+]1[O-]
InChIInChI=1S/C15H18N4O/c1-11-9-14(10-12(2)19(11)20)17-16-13-5-7-15(8-6-13)18(3)4/h5-10H,1-4H3/b17-16+
InChIKeyCIUABDWQKGUUIS-WUKNDPDISA-N
XLogP3.42
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline (CID 23806) is 4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline is Cc1cc(/N=N/c2ccc(N(C)C)cc2)cc(C)[n+]1[O-].
What is the InChIKey of 4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline?
The InChIKey is CIUABDWQKGUUIS-WUKNDPDISA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-9-14(10-12(2)19(11)20)17-16-13-5-7-15(8-6-13)18(3)4/h5-10H,1-4H3/b17-16+.
What are the key properties of 4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline?
4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline has a molecular weight of 270.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 23806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).