2-Amino-5-chloro-N-4-pyridinylbenzamide

C₁₂H₁₀ClN₃O — CID 16770582

About 2-Amino-5-chloro-N-4-pyridinylbenzamide

2-Amino-5-chloro-N-4-pyridinylbenzamide (PubChem CID 16770582) has the molecular formula C₁₂H₁₀ClN₃O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-amino-5-chloro-N-pyridin-4-ylbenzamide.

Molecular Properties

• Compound Name: 2-Amino-5-chloro-N-4-pyridinylbenzamide
• PubChem CID: 16770582
• Molecular Formula: C₁₂H₁₀ClN₃O
• Molecular Weight: 247.69 g/mol
• Exact Mass: 247.05
• IUPAC Name: 2-amino-5-chloro-N-pyridin-4-ylbenzamide
• SMILES: Nc1ccc(Cl)cc1C(=O)Nc1ccncc1
• InChI: InChI=1S/C12H10ClN3O/c13-8-1-2-11(14)10(7-8)12(17)16-9-3-5-15-6-4-9/h1-7H,14H2,(H,15,16,17)
• InChIKey: OYKWUJOBUQZDIC-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 68.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.69
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-Amino-5-chloro-N-4-pyridinylbenzamide?

The IUPAC name of 2-Amino-5-chloro-N-4-pyridinylbenzamide (CID 16770582) is 2-amino-5-chloro-N-pyridin-4-ylbenzamide.

What is the SMILES notation for 2-Amino-5-chloro-N-4-pyridinylbenzamide?

The canonical SMILES for 2-Amino-5-chloro-N-4-pyridinylbenzamide is Nc1ccc(Cl)cc1C(=O)Nc1ccncc1.

What is the InChIKey of 2-Amino-5-chloro-N-4-pyridinylbenzamide?

The InChIKey is OYKWUJOBUQZDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-8-1-2-11(14)10(7-8)12(17)16-9-3-5-15-6-4-9/h1-7H,14H2,(H,15,16,17).

What are the key properties of 2-Amino-5-chloro-N-4-pyridinylbenzamide?

2-Amino-5-chloro-N-4-pyridinylbenzamide has a molecular weight of 247.69 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-Amino-5-chloro-N-4-pyridinylbenzamide is sourced from PubChem (CID 16770582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 16770582 — identifiers, structure, computed properties (public domain)

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