N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide

C₁₂H₁₆BrN₃O — CID 79160532

About N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide

N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide (PubChem CID 79160532) has the molecular formula C₁₂H₁₆BrN₃O and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide
• PubChem CID: 79160532
• Molecular Formula: C₁₂H₁₆BrN₃O
• Molecular Weight: 298.18 g/mol
• Exact Mass: 297.05
• IUPAC Name: N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide
• SMILES: CC1CCN(C(=O)Nc2cccc(Br)n2)CC1
• InChI: InChI=1S/C12H16BrN3O/c1-9-5-7-16(8-6-9)12(17)15-11-4-2-3-10(13)14-11/h2-4,9H,5-8H2,1H3,(H,14,15,17)
• InChIKey: LAHCZBAQBPKLPA-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.18
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide?

The IUPAC name of N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide (CID 79160532) is N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide.

What is the SMILES notation for N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide?

The canonical SMILES for N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2cccc(Br)n2)CC1.

What is the InChIKey of N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide?

The InChIKey is LAHCZBAQBPKLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-9-5-7-16(8-6-9)12(17)15-11-4-2-3-10(13)14-11/h2-4,9H,5-8H2,1H3,(H,14,15,17).

What are the key properties of N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide?

N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79160532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 79160532 — identifiers, structure, computed properties (public domain)

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