N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide

C₁₃H₁₁Br₂N₃O₂ — CID 62874469

About N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide

N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide (PubChem CID 62874469) has the molecular formula C₁₃H₁₁Br₂N₃O₂ and a molecular weight of 401.06 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide
• PubChem CID: 62874469
• Molecular Formula: C₁₃H₁₁Br₂N₃O₂
• Molecular Weight: 401.06 g/mol
• Exact Mass: 398.92
• IUPAC Name: N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide
• SMILES: COc1ncccc1C(=O)Nc1c(N)cc(Br)cc1Br
• InChI: InChI=1S/C13H11Br2N3O2/c1-20-13-8(3-2-4-17-13)12(19)18-11-9(15)5-7(14)6-10(11)16/h2-6H,16H2,1H3,(H,18,19)
• InChIKey: FAWNATVKOZNMDU-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 77.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.06
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide?

The IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide (CID 62874469) is N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide.

What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide?

The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1c(N)cc(Br)cc1Br.

What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide?

The InChIKey is FAWNATVKOZNMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3O2/c1-20-13-8(3-2-4-17-13)12(19)18-11-9(15)5-7(14)6-10(11)16/h2-6H,16H2,1H3,(H,18,19).

What are the key properties of N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide?

N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide has a molecular weight of 401.06 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 62874469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62874469 — identifiers, structure, computed properties (public domain)

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