6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4-diaza-7-azanidacyclonon-1-yl]methyl]pyridine-2-carboxylic acid;terbium

C20H24N5O4Tb- — CID 138455183

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

6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4-diaza-7-azanidacyclonon-1-yl]methyl]pyridine-2-carboxylic acid;terbium (PubChem CID 138455183) has the molecular formula C20H24N5O4Tb- and a molecular weight of 557.37 g/mol. Its IUPAC name is 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4-diaza-7-azanidacyclonon-1-yl]methyl]pyridine-2-carboxylic acid;terbium.

Molecular Properties

• Compound Name: 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4-diaza-7-azanidacyclonon-1-yl]methyl]pyridine-2-carboxylic acid;terbium
• PubChem CID: 138455183
• Molecular Formula: C20H24N5O4Tb-
• Molecular Weight: 557.37 g/mol
• Exact Mass: 557.11
• IUPAC Name: 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4-diaza-7-azanidacyclonon-1-yl]methyl]pyridine-2-carboxylic acid;terbium
• SMILES: O=C(O)c1cccc(CN2CC[N-]CCN(Cc3cccc(C(=O)O)n3)CC2)n1.[Tb]
• InChI: InChI=1S/C20H24N5O4.Tb/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;/h1-6H,7-14H2,(H,26,27)(H,28,29);/q-1
• InChIKey: CRELESPZSHDUTD-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 120.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.37
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4-diaza-7-azanidacyclonon-1-yl]methyl]pyridine-2-carboxylic acid;terbium (CID 138455183) is 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4-diaza-7-azanidacyclonon-1-yl]methyl]pyridine-2-carboxylic acid;terbium.

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

The canonical SMILES for 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4-diaza-7-azanidacyclonon-1-yl]methyl]pyridine-2-carboxylic acid;terbium is O=C(O)c1cccc(CN2CC[N-]CCN(Cc3cccc(C(=O)O)n3)CC2)n1.[Tb].

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

The InChIKey is CRELESPZSHDUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N5O4.Tb/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;/h1-6H,7-14H2,(H,26,27)(H,28,29);/q-1;.

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

6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4-diaza-7-azanidacyclonon-1-yl]methyl]pyridine-2-carboxylic acid;terbium has a molecular weight of 557.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[(6-carboxy-2-pyridinyl)methyl]-1,4-diaza-7-azanidacyclonon-1-yl]methyl]pyridine-2-carboxylic acid;terbium is sourced from PubChem (CID 138455183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).