[5,7-diamino-6-cyano-4-(2-hydroxy-5-phenyldiazenylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

C21H16N10O — CID 169381175

About [5,7-diamino-6-cyano-4-(2-hydroxy-5-phenyldiazenylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

[5,7-diamino-6-cyano-4-(2-hydroxy-5-phenyldiazenylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169381175) has the molecular formula C21H16N10O and a molecular weight of 424.43 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-(2-hydroxy-5-phenyldiazenylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

• Compound Name: [5,7-diamino-6-cyano-4-(2-hydroxy-5-phenyldiazenylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
• PubChem CID: 169381175
• Molecular Formula: C21H16N10O
• Molecular Weight: 424.43 g/mol
• Exact Mass: 424.15
• IUPAC Name: [5,7-diamino-6-cyano-4-(2-hydroxy-5-phenyldiazenylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
• SMILES: N#CNC1=NC(c2cc(/N=N/c3ccccc3)ccc2O)c2c(nc(N)c(C#N)c2N)N1
• InChI: InChI=1S/C21H16N10O/c22-9-14-17(24)16-18(27-21(26-10-23)29-20(16)28-19(14)25)13-8-12(6-7-15(13)32)31-30-11-4-2-1-3-5-11/h1-8,18,32H,(H6,24,25,26,27,28,29)/b31-30+
• InChIKey: XFJIKEABHQGRQT-NVQSTNCTSA-N
• XLogP: 3.18
• TPSA: 193.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.43
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-(2-hydroxy-5-phenyldiazenylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The IUPAC name of [5,7-diamino-6-cyano-4-(2-hydroxy-5-phenyldiazenylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169381175) is [5,7-diamino-6-cyano-4-(2-hydroxy-5-phenyldiazenylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

What is the SMILES notation for [5,7-diamino-6-cyano-4-(2-hydroxy-5-phenyldiazenylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The canonical SMILES for [5,7-diamino-6-cyano-4-(2-hydroxy-5-phenyldiazenylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is N#CNC1=NC(c2cc(/N=N/c3ccccc3)ccc2O)c2c(nc(N)c(C#N)c2N)N1.

What is the InChIKey of [5,7-diamino-6-cyano-4-(2-hydroxy-5-phenyldiazenylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The InChIKey is XFJIKEABHQGRQT-NVQSTNCTSA-N. The full InChI is InChI=1S/C21H16N10O/c22-9-14-17(24)16-18(27-21(26-10-23)29-20(16)28-19(14)25)13-8-12(6-7-15(13)32)31-30-11-4-2-1-3-5-11/h1-8,18,32H,(H6,24,25,26,27,28,29)/b31-30+.

What are the key properties of [5,7-diamino-6-cyano-4-(2-hydroxy-5-phenyldiazenylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

[5,7-diamino-6-cyano-4-(2-hydroxy-5-phenyldiazenylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 424.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [5,7-diamino-6-cyano-4-(2-hydroxy-5-phenyldiazenylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169381175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).