4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline

C18H16N4 — CID 166751839

IUPAC4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline
SMILESCc1cccnc1/N=N/c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C18H16N4/c1-14-6-5-13-19-18(14)22-21-17-11-9-16(10-12-17)20-15-7-3-2-4-8-15/h2-13,20H,1H3/b22-21+
InChIKeyHEVFXRLMTQOOSC-QURGRASLSA-N
MW288.35 g/mol
LogP5.55
Rot. Bonds4

About 4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline

4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline (PubChem CID 166751839) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline
PubChem CID166751839
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline
SMILESCc1cccnc1/N=N/c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C18H16N4/c1-14-6-5-13-19-18(14)22-21-17-11-9-16(10-12-17)20-15-7-3-2-4-8-15/h2-13,20H,1H3/b22-21+
InChIKeyHEVFXRLMTQOOSC-QURGRASLSA-N
XLogP5.55
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline?
The IUPAC name of 4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline (CID 166751839) is 4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline.
What is the SMILES notation for 4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline?
The canonical SMILES for 4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline is Cc1cccnc1/N=N/c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline?
The InChIKey is HEVFXRLMTQOOSC-QURGRASLSA-N. The full InChI is InChI=1S/C18H16N4/c1-14-6-5-13-19-18(14)22-21-17-11-9-16(10-12-17)20-15-7-3-2-4-8-15/h2-13,20H,1H3/b22-21+.
What are the key properties of 4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline?
4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline has a molecular weight of 288.35 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-pyridinyl)diazenyl]-N-phenylaniline is sourced from PubChem (CID 166751839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).