N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide

C₂₁H₂₄ClFN₄O₂ — CID 140666600

About N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide

N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide (PubChem CID 140666600) has the molecular formula C₂₁H₂₄ClFN₄O₂ and a molecular weight of 418.90 g/mol. Its IUPAC name is N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide.

Molecular Properties

• Compound Name: N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide
• PubChem CID: 140666600
• Molecular Formula: C₂₁H₂₄ClFN₄O₂
• Molecular Weight: 418.90 g/mol
• Exact Mass: 418.16
• IUPAC Name: N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide
• SMILES: CCC(NNC(=O)C1CCCC1)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F
• InChI: InChI=1S/C21H24ClFN4O2/c1-2-16(26-27-21(29)12-5-3-4-6-12)14-8-9-15(22)18(19(14)23)20(28)13-7-10-17(24)25-11-13/h7-12,16,26H,2-6H2,1H3,(H2,24,25)(H,27,29)
• InChIKey: OLFHUWOKMZFBFG-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 97.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.90
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide?

The IUPAC name of N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide (CID 140666600) is N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide.

What is the SMILES notation for N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide?

The canonical SMILES for N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide is CCC(NNC(=O)C1CCCC1)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F.

What is the InChIKey of N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide?

The InChIKey is OLFHUWOKMZFBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN4O2/c1-2-16(26-27-21(29)12-5-3-4-6-12)14-8-9-15(22)18(19(14)23)20(28)13-7-10-17(24)25-11-13/h7-12,16,26H,2-6H2,1H3,(H2,24,25)(H,27,29).

What are the key properties of N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide?

N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide has a molecular weight of 418.90 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide is sourced from PubChem (CID 140666600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140666600 — identifiers, structure, computed properties (public domain)

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