2-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid;hydrochloride

C21H33ClN6O7 — CID 169214475

About 2-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid;hydrochloride

2-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid;hydrochloride (PubChem CID 169214475) has the molecular formula C21H33ClN6O7 and a molecular weight of 516.98 g/mol. Its IUPAC name is 2-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid;hydrochloride.

Molecular Properties

• Compound Name: 2-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid;hydrochloride
• PubChem CID: 169214475
• Molecular Formula: C21H33ClN6O7
• Molecular Weight: 516.98 g/mol
• Exact Mass: 516.21
• IUPAC Name: 2-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid;hydrochloride
• SMILES: Cl.[N-]=[N+]=NCCOCCOCCOCCN(C(=O)C1CCCNC1)c1ccc(=O)n(CC(=O)O)c1
• InChI: InChI=1S/C21H32N6O7.ClH/c22-25-24-6-8-32-10-12-34-13-11-33-9-7-27(21(31)17-2-1-5-23-14-17)18-3-4-19(28)26(15-18)16-20(29)30;/h3-4,15,17,23H,1-2,5-14,16H2,(H,29,30);1H
• InChIKey: UIIZJIOHQRXGOU-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 168.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.98
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid;hydrochloride?

The IUPAC name of 2-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid;hydrochloride (CID 169214475) is 2-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid;hydrochloride.

What is the SMILES notation for 2-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid;hydrochloride?

The canonical SMILES for 2-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid;hydrochloride is Cl.[N-]=[N+]=NCCOCCOCCOCCN(C(=O)C1CCCNC1)c1ccc(=O)n(CC(=O)O)c1.

What is the InChIKey of 2-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid;hydrochloride?

The InChIKey is UIIZJIOHQRXGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O7.ClH/c22-25-24-6-8-32-10-12-34-13-11-33-9-7-27(21(31)17-2-1-5-23-14-17)18-3-4-19(28)26(15-18)16-20(29)30;/h3-4,15,17,23H,1-2,5-14,16H2,(H,29,30);1H.

What are the key properties of 2-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid;hydrochloride?

2-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid;hydrochloride has a molecular weight of 516.98 g/mol, XLogP of 1.05, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-(piperidine-3-carbonyl)amino]-2-oxo-1-pyridinyl]acetic acid;hydrochloride is sourced from PubChem (CID 169214475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).