N,N-dimethyl-4-[(5-methyl-2-pyridinyl)diazenyl]aniline

C14H16N4 — CID 87314088

IUPACN,N-dimethyl-4-[(5-methyl-2-pyridinyl)diazenyl]aniline
SMILESCc1ccc(/N=N/c2ccc(N(C)C)cc2)nc1
InChIInChI=1S/C14H16N4/c1-11-4-9-14(15-10-11)17-16-12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3/b17-16+
InChIKeyGAOFJYVCCLMVLK-WUKNDPDISA-N
MW240.31 g/mol
LogP3.87
Rot. Bonds3

About N,N-dimethyl-4-[(5-methyl-2-pyridinyl)diazenyl]aniline

N,N-dimethyl-4-[(5-methyl-2-pyridinyl)diazenyl]aniline (PubChem CID 87314088) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N,N-dimethyl-4-[(5-methyl-2-pyridinyl)diazenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(5-methyl-2-pyridinyl)diazenyl]aniline
PubChem CID87314088
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN,N-dimethyl-4-[(5-methyl-2-pyridinyl)diazenyl]aniline
SMILESCc1ccc(/N=N/c2ccc(N(C)C)cc2)nc1
InChIInChI=1S/C14H16N4/c1-11-4-9-14(15-10-11)17-16-12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3/b17-16+
InChIKeyGAOFJYVCCLMVLK-WUKNDPDISA-N
XLogP3.87
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.87
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'}

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Related Compounds

[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]phenyl]-(5-methyl-2-pyridinyl)diazene
CID 135130274
5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol
CID 158043650
4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
CID 577894
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226
4-[[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]diazenyl]-N,N-dimethylaniline
CID 90129084
5-methyl-2-nitrosopyridine
CID 45080021
bis(4-methylphenyl)diazene
CID 10389
N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline
CID 145427736
4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline
CID 23806
4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline
CID 9592
4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 81313245
(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine
CID 135538380

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(5-methyl-2-pyridinyl)diazenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(5-methyl-2-pyridinyl)diazenyl]aniline (CID 87314088) is N,N-dimethyl-4-[(5-methyl-2-pyridinyl)diazenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(5-methyl-2-pyridinyl)diazenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(5-methyl-2-pyridinyl)diazenyl]aniline is Cc1ccc(/N=N/c2ccc(N(C)C)cc2)nc1.
What is the InChIKey of N,N-dimethyl-4-[(5-methyl-2-pyridinyl)diazenyl]aniline?
The InChIKey is GAOFJYVCCLMVLK-WUKNDPDISA-N. The full InChI is InChI=1S/C14H16N4/c1-11-4-9-14(15-10-11)17-16-12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3/b17-16+.
What are the key properties of N,N-dimethyl-4-[(5-methyl-2-pyridinyl)diazenyl]aniline?
N,N-dimethyl-4-[(5-methyl-2-pyridinyl)diazenyl]aniline has a molecular weight of 240.31 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(5-methyl-2-pyridinyl)diazenyl]aniline is sourced from PubChem (CID 87314088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).