2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile

C24H20N6O4 — CID 135755700

IUPAC2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)[nH]c(=O)c1/N=N/c1ccccc1-c1nc(CCOCc2ccccc2)no1
InChIInChI=1S/C24H20N6O4/c1-15-18(13-25)22(31)27-23(32)21(15)29-28-19-10-6-5-9-17(19)24-26-20(30-34-24)11-12-33-14-16-7-3-2-4-8-16/h2-10H,11-12,14H2,1H3,(H2,27,31,32)/b29-28+
InChIKeyPYHOAIJLCCSEKN-ZQHSETAFSA-N
MW456.46 g/mol
LogP4.49
Rot. Bonds8

About 2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile

2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile (PubChem CID 135755700) has the molecular formula C24H20N6O4 and a molecular weight of 456.46 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile
PubChem CID135755700
Molecular FormulaC24H20N6O4
Molecular Weight456.46 g/mol
Exact Mass456.15
IUPAC Name2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)[nH]c(=O)c1/N=N/c1ccccc1-c1nc(CCOCc2ccccc2)no1
InChIInChI=1S/C24H20N6O4/c1-15-18(13-25)22(31)27-23(32)21(15)29-28-19-10-6-5-9-17(19)24-26-20(30-34-24)11-12-33-14-16-7-3-2-4-8-16/h2-10H,11-12,14H2,1H3,(H2,27,31,32)/b29-28+
InChIKeyPYHOAIJLCCSEKN-ZQHSETAFSA-N
XLogP4.49
TPSA149.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile 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 2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile (CID 135755700) is 2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile is Cc1c(C#N)c(O)[nH]c(=O)c1/N=N/c1ccccc1-c1nc(CCOCc2ccccc2)no1.
What is the InChIKey of 2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile?
The InChIKey is PYHOAIJLCCSEKN-ZQHSETAFSA-N. The full InChI is InChI=1S/C24H20N6O4/c1-15-18(13-25)22(31)27-23(32)21(15)29-28-19-10-6-5-9-17(19)24-26-20(30-34-24)11-12-33-14-16-7-3-2-4-8-16/h2-10H,11-12,14H2,1H3,(H2,27,31,32)/b29-28+.
What are the key properties of 2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile?
2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile has a molecular weight of 456.46 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 135755700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).