Procarbazine

C₁₂H₁₉N₃O — CID 4915

About Procarbazine

Procarbazine (PubChem CID 4915) has the molecular formula C₁₂H₁₉N₃O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: Procarbazine
• PubChem CID: 4915
• Molecular Formula: C₁₂H₁₉N₃O
• Molecular Weight: 221.30 g/mol
• Exact Mass: 221.15
• IUPAC Name: 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
• SMILES: CNNCc1ccc(C(=O)NC(C)C)cc1
• InChI: InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)
• InChIKey: CPTBDICYNRMXFX-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 53.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.30
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Procarbazine?

The IUPAC name of Procarbazine (CID 4915) is 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide.

What is the SMILES notation for Procarbazine?

The canonical SMILES for Procarbazine is CNNCc1ccc(C(=O)NC(C)C)cc1.

What is the InChIKey of Procarbazine?

The InChIKey is CPTBDICYNRMXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16).

What are the key properties of Procarbazine?

Procarbazine has a molecular weight of 221.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Procarbazine is sourced from PubChem (CID 4915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4915 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2272 — approved-drug record (CC BY-SA 4.0)

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