1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile

C24H18N4O3 — CID 135835287

About 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile

1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile (PubChem CID 135835287) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile
• PubChem CID: 135835287
• Molecular Formula: C24H18N4O3
• Molecular Weight: 410.43 g/mol
• Exact Mass: 410.14
• IUPAC Name: 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile
• SMILES: Cc1c(C#N)c(O)n(Cc2ccco2)c(=O)c1/N=N/c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C24H18N4O3/c1-16-21(14-25)23(29)28(15-20-8-5-13-31-20)24(30)22(16)27-26-19-11-9-18(10-12-19)17-6-3-2-4-7-17/h2-13,29H,15H2,1H3/b27-26+
• InChIKey: GURBKALNBFSEEI-CYYJNZCTSA-N
• XLogP: 5.46
• TPSA: 103.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.43
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile?

The IUPAC name of 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile (CID 135835287) is 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile.

What is the SMILES notation for 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile?

The canonical SMILES for 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile is Cc1c(C#N)c(O)n(Cc2ccco2)c(=O)c1/N=N/c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile?

The InChIKey is GURBKALNBFSEEI-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H18N4O3/c1-16-21(14-25)23(29)28(15-20-8-5-13-31-20)24(30)22(16)27-26-19-11-9-18(10-12-19)17-6-3-2-4-7-17/h2-13,29H,15H2,1H3/b27-26+.

What are the key properties of 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile?

1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile has a molecular weight of 410.43 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 135835287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).