5-[2-(5-aminopentyl)-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine

C22H24ClFN4 — CID 153266895

About 5-[2-(5-aminopentyl)-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine

5-[2-(5-aminopentyl)-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine (PubChem CID 153266895) has the molecular formula C22H24ClFN4 and a molecular weight of 398.91 g/mol. Its IUPAC name is 5-[2-(5-aminopentyl)-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[2-(5-aminopentyl)-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine
• PubChem CID: 153266895
• Molecular Formula: C22H24ClFN4
• Molecular Weight: 398.91 g/mol
• Exact Mass: 398.17
• IUPAC Name: 5-[2-(5-aminopentyl)-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine
• SMILES: NCCCCCc1cc(-c2cncc(NCc3cccc(F)c3)c2)c(Cl)cn1
• InChI: InChI=1S/C22H24ClFN4/c23-22-15-28-19(7-2-1-3-8-25)11-21(22)17-10-20(14-26-13-17)27-12-16-5-4-6-18(24)9-16/h4-6,9-11,13-15,27H,1-3,7-8,12,25H2
• InChIKey: WWINLYFWISTGQF-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 63.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.91
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-aminopentyl)-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine?

The IUPAC name of 5-[2-(5-aminopentyl)-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine (CID 153266895) is 5-[2-(5-aminopentyl)-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine.

What is the SMILES notation for 5-[2-(5-aminopentyl)-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine?

The canonical SMILES for 5-[2-(5-aminopentyl)-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine is NCCCCCc1cc(-c2cncc(NCc3cccc(F)c3)c2)c(Cl)cn1.

What is the InChIKey of 5-[2-(5-aminopentyl)-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine?

The InChIKey is WWINLYFWISTGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4/c23-22-15-28-19(7-2-1-3-8-25)11-21(22)17-10-20(14-26-13-17)27-12-16-5-4-6-18(24)9-16/h4-6,9-11,13-15,27H,1-3,7-8,12,25H2.

What are the key properties of 5-[2-(5-aminopentyl)-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine?

5-[2-(5-aminopentyl)-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine has a molecular weight of 398.91 g/mol, XLogP of 5.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(5-aminopentyl)-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 153266895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).