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

C51H51DyN9O12 — CID 139213339

IUPACtris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium
SMILESCCNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)cc(C(=O)O)n1.[Dy]
InChIInChI=1S/3C17H17N3O4.Dy/c3*1-3-18-16(22)14-8-12(9-15(20-14)17(23)24)11-4-6-13(7-5-11)19-10(2)21;/h3*4-9H,3H2,1-2H3,(H,18,22)(H,19,21)(H,23,24);
InChIKeyDDYGZFDELRWVFQ-UHFFFAOYSA-N
MW1144.52 g/mol
LogP6.46
Rot. Bonds15

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

tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium (PubChem CID 139213339) has the molecular formula C51H51DyN9O12 and a molecular weight of 1144.52 g/mol. Its IUPAC name is tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium.

Molecular Properties

Compound Nametris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium
PubChem CID139213339
Molecular FormulaC51H51DyN9O12
Molecular Weight1144.52 g/mol
Exact Mass1145.29
IUPAC Nametris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium
SMILESCCNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)cc(C(=O)O)n1.[Dy]
InChIInChI=1S/3C17H17N3O4.Dy/c3*1-3-18-16(22)14-8-12(9-15(20-14)17(23)24)11-4-6-13(7-5-11)19-10(2)21;/h3*4-9H,3H2,1-2H3,(H,18,22)(H,19,21)(H,23,24);
InChIKeyDDYGZFDELRWVFQ-UHFFFAOYSA-N
XLogP6.46
TPSA325.17 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001144.52
LogP ≤ 56.46
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium?
The IUPAC name of tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium (CID 139213339) is tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium.
What is the SMILES notation for tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium?
The canonical SMILES for tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium is CCNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)cc(C(=O)O)n1.[Dy].
What is the InChIKey of tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium?
The InChIKey is DDYGZFDELRWVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H17N3O4.Dy/c3*1-3-18-16(22)14-8-12(9-15(20-14)17(23)24)11-4-6-13(7-5-11)19-10(2)21;/h3*4-9H,3H2,1-2H3,(H,18,22)(H,19,21)(H,23,24);.
What are the key properties of tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium?
tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium has a molecular weight of 1144.52 g/mol, XLogP of 6.46, 15 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);dysprosium is sourced from PubChem (CID 139213339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).