N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide

C₁₄H₂₁N₃O — CID 115273841

About N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide

N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide (PubChem CID 115273841) has the molecular formula C₁₄H₂₁N₃O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide.

Molecular Properties

• Compound Name: N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide
• PubChem CID: 115273841
• Molecular Formula: C₁₄H₂₁N₃O
• Molecular Weight: 247.34 g/mol
• Exact Mass: 247.17
• IUPAC Name: N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide
• SMILES: CN(C(=O)CC1CCCCC1)c1ccc(N)cn1
• InChI: InChI=1S/C14H21N3O/c1-17(13-8-7-12(15)10-16-13)14(18)9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9,15H2,1H3
• InChIKey: WSTQCUOCJGQFLY-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 59.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.34
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide?

The IUPAC name of N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide (CID 115273841) is N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide.

What is the SMILES notation for N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide?

The canonical SMILES for N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide is CN(C(=O)CC1CCCCC1)c1ccc(N)cn1.

What is the InChIKey of N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide?

The InChIKey is WSTQCUOCJGQFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(13-8-7-12(15)10-16-13)14(18)9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9,15H2,1H3.

What are the key properties of N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide?

N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide has a molecular weight of 247.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 115273841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115273841 — identifiers, structure, computed properties (public domain)

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