N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine

C20H18N4 — CID 5175963

IUPACN-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine
SMILESCc1ccc(/N=N/c2ccc(C)cc2/N=C/c2ccncc2)cc1
InChIInChI=1S/C20H18N4/c1-15-3-6-18(7-4-15)23-24-19-8-5-16(2)13-20(19)22-14-17-9-11-21-12-10-17/h3-14H,1-2H3/b22-14+,24-23+
InChIKeyOLTFMXLRUAFIBL-OEGUDMMCSA-N
MW314.39 g/mol
LogP5.86
Rot. Bonds4

About N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine

N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine (PubChem CID 5175963) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine.

Molecular Properties

Compound NameN-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine
PubChem CID5175963
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC NameN-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine
SMILESCc1ccc(/N=N/c2ccc(C)cc2/N=C/c2ccncc2)cc1
InChIInChI=1S/C20H18N4/c1-15-3-6-18(7-4-15)23-24-19-8-5-16(2)13-20(19)22-14-17-9-11-21-12-10-17/h3-14H,1-2H3/b22-14+,24-23+
InChIKeyOLTFMXLRUAFIBL-OEGUDMMCSA-N
XLogP5.86
TPSA49.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine?
The IUPAC name of N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine (CID 5175963) is N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine.
What is the SMILES notation for N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine?
The canonical SMILES for N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine is Cc1ccc(/N=N/c2ccc(C)cc2/N=C/c2ccncc2)cc1.
What is the InChIKey of N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine?
The InChIKey is OLTFMXLRUAFIBL-OEGUDMMCSA-N. The full InChI is InChI=1S/C20H18N4/c1-15-3-6-18(7-4-15)23-24-19-8-5-16(2)13-20(19)22-14-17-9-11-21-12-10-17/h3-14H,1-2H3/b22-14+,24-23+.
What are the key properties of N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine?
N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine has a molecular weight of 314.39 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-pyridin-4-ylmethanimine is sourced from PubChem (CID 5175963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).