4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide

C30H24N8O3 — CID 163859214

About 4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide

4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide (PubChem CID 163859214) has the molecular formula C30H24N8O3 and a molecular weight of 544.58 g/mol. Its IUPAC name is 4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide.

Molecular Properties

• Compound Name: 4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide
• PubChem CID: 163859214
• Molecular Formula: C30H24N8O3
• Molecular Weight: 544.58 g/mol
• Exact Mass: 544.20
• IUPAC Name: 4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide
• SMILES: CCCNC(=O)c1ccc2c(/N=N/c3c(C#N)cnn3-c3ccccn3)c(O)c(C(=O)Nc3ccccc3)cc2c1
• InChI: InChI=1S/C30H24N8O3/c1-2-13-33-29(40)19-11-12-23-20(15-19)16-24(30(41)35-22-8-4-3-5-9-22)27(39)26(23)36-37-28-21(17-31)18-34-38(28)25-10-6-7-14-32-25/h3-12,14-16,18,39H,2,13H2,1H3,(H,33,40)(H,35,41)/b37-36+
• InChIKey: PBAMDUVGLMYKSY-BSRQYYOTSA-N
• XLogP: 5.81
• TPSA: 157.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.58
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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 4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide?

The IUPAC name of 4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide (CID 163859214) is 4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide.

What is the SMILES notation for 4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide?

The canonical SMILES for 4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide is CCCNC(=O)c1ccc2c(/N=N/c3c(C#N)cnn3-c3ccccn3)c(O)c(C(=O)Nc3ccccc3)cc2c1.

What is the InChIKey of 4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide?

The InChIKey is PBAMDUVGLMYKSY-BSRQYYOTSA-N. The full InChI is InChI=1S/C30H24N8O3/c1-2-13-33-29(40)19-11-12-23-20(15-19)16-24(30(41)35-22-8-4-3-5-9-22)27(39)26(23)36-37-28-21(17-31)18-34-38(28)25-10-6-7-14-32-25/h3-12,14-16,18,39H,2,13H2,1H3,(H,33,40)(H,35,41)/b37-36+.

What are the key properties of 4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide?

4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide has a molecular weight of 544.58 g/mol, XLogP of 5.81, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide is sourced from PubChem (CID 163859214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).