5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine

C₁₂H₂₀IN₃ — CID 134516590

About 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine

5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine (PubChem CID 134516590) has the molecular formula C₁₂H₂₀IN₃ and a molecular weight of 333.22 g/mol. Its IUPAC name is 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine.

Molecular Properties

• Compound Name: 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine
• PubChem CID: 134516590
• Molecular Formula: C₁₂H₂₀IN₃
• Molecular Weight: 333.22 g/mol
• Exact Mass: 333.07
• IUPAC Name: 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine
• SMILES: CN1C=C(I)C=C(NC2CCN(C)CC2)C1
• InChI: InChI=1S/C12H20IN3/c1-15-5-3-11(4-6-15)14-12-7-10(13)8-16(2)9-12/h7-8,11,14H,3-6,9H2,1-2H3
• InChIKey: XJIZMRZKTVJWPC-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 18.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.22
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine?

The IUPAC name of 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine (CID 134516590) is 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine.

What is the SMILES notation for 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine?

The canonical SMILES for 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine is CN1C=C(I)C=C(NC2CCN(C)CC2)C1.

What is the InChIKey of 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine?

The InChIKey is XJIZMRZKTVJWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3/c1-15-5-3-11(4-6-15)14-12-7-10(13)8-16(2)9-12/h7-8,11,14H,3-6,9H2,1-2H3.

What are the key properties of 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine?

5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine has a molecular weight of 333.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine is sourced from PubChem (CID 134516590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134516590 — identifiers, structure, computed properties (public domain)

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