N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide

C22H23N4O+ — CID 8877264

IUPACN-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
SMILESCCCc1cc[n+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N4O/c1-2-6-18-13-15-26(16-14-18)17-22(27)23-19-9-11-21(12-10-19)25-24-20-7-4-3-5-8-20/h3-5,7-16H,2,6,17H2,1H3/p+1
InChIKeyYPOSPGQMSVINHE-UHFFFAOYSA-O
MW359.45 g/mol
LogP4.98
Rot. Bonds7

About N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide

N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide (PubChem CID 8877264) has the molecular formula C22H23N4O+ and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
PubChem CID8877264
Molecular FormulaC22H23N4O+
Molecular Weight359.45 g/mol
Exact Mass359.19
IUPAC NameN-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
SMILESCCCc1cc[n+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N4O/c1-2-6-18-13-15-26(16-14-18)17-22(27)23-19-9-11-21(12-10-19)25-24-20-7-4-3-5-8-20/h3-5,7-16H,2,6,17H2,1H3/p+1
InChIKeyYPOSPGQMSVINHE-UHFFFAOYSA-O
XLogP4.98
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.98
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'}

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Related Compounds

N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877644
2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 8830190
N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877610
N-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877598
butyl 4-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]benzoate
CID 8877385
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide
CID 8857721
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
N-phenyl-2-(4-propylanilino)acetamide
CID 43215416
N-(3-chloro-4-cyanophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877420
N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 22890003
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide
CID 7529013

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide (CID 8877264) is N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide is CCCc1cc[n+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The InChIKey is YPOSPGQMSVINHE-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H22N4O/c1-2-6-18-13-15-26(16-14-18)17-22(27)23-19-9-11-21(12-10-19)25-24-20-7-4-3-5-8-20/h3-5,7-16H,2,6,17H2,1H3/p+1.
What are the key properties of N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide has a molecular weight of 359.45 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8877264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).