N-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide chloride

C15H18ClN5O — CID 3075321

IUPACN-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide chloride
SMILESCN(C)/N=N/c1cccc(NC(=O)C[n+]2ccccc2)c1.[Cl-]
InChIInChI=1S/C15H17N5O.ClH/c1-19(2)18-17-14-8-6-7-13(11-14)16-15(21)12-20-9-4-3-5-10-20;/h3-11H,12H2,1-2H3;1H/b18-17+;
InChIKeyLSDOHOJVMRHFTN-ZAGWXBKKSA-N
MW319.80 g/mol
LogP-0.82
Rot. Bonds5

About N-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide chloride

N-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide chloride (PubChem CID 3075321) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is N-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide chloride.

Molecular Properties

Compound NameN-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide chloride
PubChem CID3075321
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC NameN-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide chloride
SMILESCN(C)/N=N/c1cccc(NC(=O)C[n+]2ccccc2)c1.[Cl-]
InChIInChI=1S/C15H17N5O.ClH/c1-19(2)18-17-14-8-6-7-13(11-14)16-15(21)12-20-9-4-3-5-10-20;/h3-11H,12H2,1-2H3;1H/b18-17+;
InChIKeyLSDOHOJVMRHFTN-ZAGWXBKKSA-N
XLogP-0.82
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 5-0.82
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide
CID 46906808
N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide
CID 8831132
N-(3-nitrosophenyl)-3-oxobutanamide
CID 163535086
N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 22890003
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751190
N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877264
2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 8830190
N-(3-bromophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide chloride
CID 43001070
2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4110787
N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876592
N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877610
N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878092

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide chloride?
The IUPAC name of N-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide chloride (CID 3075321) is N-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide chloride.
What is the SMILES notation for N-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide chloride?
The canonical SMILES for N-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide chloride is CN(C)/N=N/c1cccc(NC(=O)C[n+]2ccccc2)c1.[Cl-].
What is the InChIKey of N-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide chloride?
The InChIKey is LSDOHOJVMRHFTN-ZAGWXBKKSA-N. The full InChI is InChI=1S/C15H17N5O.ClH/c1-19(2)18-17-14-8-6-7-13(11-14)16-15(21)12-20-9-4-3-5-10-20;/h3-11H,12H2,1-2H3;1H/b18-17+;.
What are the key properties of N-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide chloride?
N-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide chloride has a molecular weight of 319.80 g/mol, XLogP of -0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide chloride is sourced from PubChem (CID 3075321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).