tris(4-(4-aminophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium

C45H45DyN9O9 — CID 139213351

IUPACtris(4-(4-aminophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium
SMILESCCNC(=O)c1cc(-c2ccc(N)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(N)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(N)cc2)cc(C(=O)O)n1.[Dy]
InChIInChI=1S/3C15H15N3O3.Dy/c3*1-2-17-14(19)12-7-10(8-13(18-12)15(20)21)9-3-5-11(16)6-4-9;/h3*3-8H,2,16H2,1H3,(H,17,19)(H,20,21);
InChIKeyOXVYSKDLAXKWLM-UHFFFAOYSA-N
MW1018.41 g/mol
LogP5.34
Rot. Bonds12

About tris(4-(4-aminophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium

tris(4-(4-aminophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium (PubChem CID 139213351) has the molecular formula C45H45DyN9O9 and a molecular weight of 1018.41 g/mol. Its IUPAC name is tris(4-(4-aminophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium.

Molecular Properties

Compound Nametris(4-(4-aminophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium
PubChem CID139213351
Molecular FormulaC45H45DyN9O9
Molecular Weight1018.41 g/mol
Exact Mass1019.26
IUPAC Nametris(4-(4-aminophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium
SMILESCCNC(=O)c1cc(-c2ccc(N)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(N)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(N)cc2)cc(C(=O)O)n1.[Dy]
InChIInChI=1S/3C15H15N3O3.Dy/c3*1-2-17-14(19)12-7-10(8-13(18-12)15(20)21)9-3-5-11(16)6-4-9;/h3*3-8H,2,16H2,1H3,(H,17,19)(H,20,21);
InChIKeyOXVYSKDLAXKWLM-UHFFFAOYSA-N
XLogP5.34
TPSA315.93 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001018.41
LogP ≤ 55.34
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(4-(4-aminophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium?
The IUPAC name of tris(4-(4-aminophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium (CID 139213351) is tris(4-(4-aminophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium.
What is the SMILES notation for tris(4-(4-aminophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium?
The canonical SMILES for tris(4-(4-aminophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium is CCNC(=O)c1cc(-c2ccc(N)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(N)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(N)cc2)cc(C(=O)O)n1.[Dy].
What is the InChIKey of tris(4-(4-aminophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium?
The InChIKey is OXVYSKDLAXKWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H15N3O3.Dy/c3*1-2-17-14(19)12-7-10(8-13(18-12)15(20)21)9-3-5-11(16)6-4-9;/h3*3-8H,2,16H2,1H3,(H,17,19)(H,20,21);.
What are the key properties of tris(4-(4-aminophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium?
tris(4-(4-aminophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium has a molecular weight of 1018.41 g/mol, XLogP of 5.34, 12 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-(4-aminophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium is sourced from PubChem (CID 139213351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).