4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide

C₂₁H₂₅ClN₄O₄ — CID 24540209

About 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide

4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 24540209) has the molecular formula C₂₁H₂₅ClN₄O₄ and a molecular weight of 432.91 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
• PubChem CID: 24540209
• Molecular Formula: C₂₁H₂₅ClN₄O₄
• Molecular Weight: 432.91 g/mol
• Exact Mass: 432.16
• IUPAC Name: 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
• SMILES: CCCCCCOc1ccc(C(=O)NNC(=O)CNC(=O)c2cc(Cl)ccn2)cc1
• InChI: InChI=1S/C21H25ClN4O4/c1-2-3-4-5-12-30-17-8-6-15(7-9-17)20(28)26-25-19(27)14-24-21(29)18-13-16(22)10-11-23-18/h6-11,13H,2-5,12,14H2,1H3,(H,24,29)(H,25,27)(H,26,28)
• InChIKey: QVQYWIZCRZVLCM-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 109.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.91
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?

The IUPAC name of 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide (CID 24540209) is 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?

The canonical SMILES for 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide is CCCCCCOc1ccc(C(=O)NNC(=O)CNC(=O)c2cc(Cl)ccn2)cc1.

What is the InChIKey of 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?

The InChIKey is QVQYWIZCRZVLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O4/c1-2-3-4-5-12-30-17-8-6-15(7-9-17)20(28)26-25-19(27)14-24-21(29)18-13-16(22)10-11-23-18/h6-11,13H,2-5,12,14H2,1H3,(H,24,29)(H,25,27)(H,26,28).

What are the key properties of 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?

4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 432.91 g/mol, XLogP of 2.89, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 24540209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 24540209 — identifiers, structure, computed properties (public domain)

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