N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline

C21H22N6 — CID 153313292

IUPACN,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline
SMILESCCN(CC)c1ccc(/N=N/c2ccc(/N=N/c3ccncc3)cc2)cc1
InChIInChI=1S/C21H22N6/c1-3-27(4-2)21-11-9-19(10-12-21)25-23-17-5-7-18(8-6-17)24-26-20-13-15-22-16-14-20/h5-16H,3-4H2,1-2H3/b25-23+,26-24+
InChIKeyUMNPHIAKPFOEBF-OGGGYYITSA-N
MW358.45 g/mol
LogP6.76
Rot. Bonds7

About N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline

N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline (PubChem CID 153313292) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline
PubChem CID153313292
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC NameN,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline
SMILESCCN(CC)c1ccc(/N=N/c2ccc(/N=N/c3ccncc3)cc2)cc1
InChIInChI=1S/C21H22N6/c1-3-27(4-2)21-11-9-19(10-12-21)25-23-17-5-7-18(8-6-17)24-26-20-13-15-22-16-14-20/h5-16H,3-4H2,1-2H3/b25-23+,26-24+
InChIKeyUMNPHIAKPFOEBF-OGGGYYITSA-N
XLogP6.76
TPSA65.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline
CID 140607759
N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline
CID 10589059
5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid
CID 11739136
N,N-diethyl-4-[[4-(pentafluoro-λ6-sulfanyl)phenyl]diazenyl]aniline
CID 122360924
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
zinc;bis(4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N,N-diethylaniline);tetrachloride
CID 170840934
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
N,N-diethyl-4-[(2,4,6-trichlorophenyl)diazenyl]aniline
CID 86120497
(N-ethyl-4-phenyldiazenylanilino)methanol
CID 59882366
zinc;4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N,N-diethylaniline;chloride
CID 21123925
4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-3-yl)diazenyl]-N,N-diethylaniline chloride
CID 25085707
methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
CID 134310378

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline?
The IUPAC name of N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline (CID 153313292) is N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline?
The canonical SMILES for N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline is CCN(CC)c1ccc(/N=N/c2ccc(/N=N/c3ccncc3)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline?
The InChIKey is UMNPHIAKPFOEBF-OGGGYYITSA-N. The full InChI is InChI=1S/C21H22N6/c1-3-27(4-2)21-11-9-19(10-12-21)25-23-17-5-7-18(8-6-17)24-26-20-13-15-22-16-14-20/h5-16H,3-4H2,1-2H3/b25-23+,26-24+.
What are the key properties of N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline?
N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline has a molecular weight of 358.45 g/mol, XLogP of 6.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline is sourced from PubChem (CID 153313292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).