N-carbamoyl-2-pyridin-1-ium-1-ylacetamide

C₈H₁₀N₃O₂+ — CID 87815999

About N-carbamoyl-2-pyridin-1-ium-1-ylacetamide

N-carbamoyl-2-pyridin-1-ium-1-ylacetamide (PubChem CID 87815999) has the molecular formula C₈H₁₀N₃O₂+ and a molecular weight of 180.19 g/mol. Its IUPAC name is N-carbamoyl-2-pyridin-1-ium-1-ylacetamide.

Molecular Properties

• Compound Name: N-carbamoyl-2-pyridin-1-ium-1-ylacetamide
• PubChem CID: 87815999
• Molecular Formula: C₈H₁₀N₃O₂+
• Molecular Weight: 180.19 g/mol
• Exact Mass: 180.08
• IUPAC Name: N-carbamoyl-2-pyridin-1-ium-1-ylacetamide
• SMILES: NC(=O)NC(=O)C[n+]1ccccc1
• InChI: InChI=1S/C8H9N3O2/c9-8(13)10-7(12)6-11-4-2-1-3-5-11/h1-5H,6H2,(H2-,9,10,12,13)/p+1
• InChIKey: DKSQLXASNDMZCM-UHFFFAOYSA-O
• XLogP: -0.83
• TPSA: 76.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.19
LogP ≤ 5	-0.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-pyridin-1-ium-1-ylacetamide?

The IUPAC name of N-carbamoyl-2-pyridin-1-ium-1-ylacetamide (CID 87815999) is N-carbamoyl-2-pyridin-1-ium-1-ylacetamide.

What is the SMILES notation for N-carbamoyl-2-pyridin-1-ium-1-ylacetamide?

The canonical SMILES for N-carbamoyl-2-pyridin-1-ium-1-ylacetamide is NC(=O)NC(=O)C[n+]1ccccc1.

What is the InChIKey of N-carbamoyl-2-pyridin-1-ium-1-ylacetamide?

The InChIKey is DKSQLXASNDMZCM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9N3O2/c9-8(13)10-7(12)6-11-4-2-1-3-5-11/h1-5H,6H2,(H2-,9,10,12,13)/p+1.

What are the key properties of N-carbamoyl-2-pyridin-1-ium-1-ylacetamide?

N-carbamoyl-2-pyridin-1-ium-1-ylacetamide has a molecular weight of 180.19 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-carbamoyl-2-pyridin-1-ium-1-ylacetamide is sourced from PubChem (CID 87815999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87815999 — identifiers, structure, computed properties (public domain)

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