6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;lutetium

C20H25LuN5O4 — CID 164607221

About 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;lutetium

6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;lutetium (PubChem CID 164607221) has the molecular formula C20H25LuN5O4 and a molecular weight of 574.42 g/mol. Its IUPAC name is 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;lutetium.

Molecular Properties

• Compound Name: 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;lutetium
• PubChem CID: 164607221
• Molecular Formula: C20H25LuN5O4
• Molecular Weight: 574.42 g/mol
• Exact Mass: 574.13
• IUPAC Name: 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;lutetium
• SMILES: O=C(O)c1cccc(CN2CCNCCN(Cc3cccc(C(=O)O)n3)CC2)n1.[Lu]
• InChI: InChI=1S/C20H25N5O4.Lu/c26-19(27)17-5-1-3-15(22-17)13-24-9-7-21-8-10-25(12-11-24)14-16-4-2-6-18(23-16)20(28)29;/h1-6,21H,7-14H2,(H,26,27)(H,28,29)
• InChIKey: VNQXONYJIDNWJM-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 118.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.42
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;lutetium?

The IUPAC name of 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;lutetium (CID 164607221) is 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;lutetium.

What is the SMILES notation for 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;lutetium?

The canonical SMILES for 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;lutetium is O=C(O)c1cccc(CN2CCNCCN(Cc3cccc(C(=O)O)n3)CC2)n1.[Lu].

What is the InChIKey of 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;lutetium?

The InChIKey is VNQXONYJIDNWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4.Lu/c26-19(27)17-5-1-3-15(22-17)13-24-9-7-21-8-10-25(12-11-24)14-16-4-2-6-18(23-16)20(28)29;/h1-6,21H,7-14H2,(H,26,27)(H,28,29);.

What are the key properties of 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;lutetium?

6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;lutetium has a molecular weight of 574.42 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;lutetium is sourced from PubChem (CID 164607221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).