Nikethamide

C₁₀H₁₄N₂O — CID 5497

About Nikethamide

Nikethamide (PubChem CID 5497) has the molecular formula C₁₀H₁₄N₂O and a molecular weight of 178.24 g/mol. Its IUPAC name is N,N-diethylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: Nikethamide
• PubChem CID: 5497
• Molecular Formula: C₁₀H₁₄N₂O
• Molecular Weight: 178.24 g/mol
• Exact Mass: 178.11
• IUPAC Name: N,N-diethylpyridine-3-carboxamide
• SMILES: CCN(CC)C(=O)c1cccnc1
• InChI: InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
• InChIKey: NCYVXEGFNDZQCU-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 33.20 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	178.24
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Nikethamide?

The IUPAC name of Nikethamide (CID 5497) is N,N-diethylpyridine-3-carboxamide.

What is the SMILES notation for Nikethamide?

The canonical SMILES for Nikethamide is CCN(CC)C(=O)c1cccnc1.

What is the InChIKey of Nikethamide?

The InChIKey is NCYVXEGFNDZQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3.

What are the key properties of Nikethamide?

Nikethamide has a molecular weight of 178.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Nikethamide is sourced from PubChem (CID 5497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5497 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3383 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.