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

C51H51N9O12Sm — CID 139213294

IUPACtris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);samarium
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.[Sm]
InChIInChI=1S/3C17H17N3O4.Sm/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);
InChIKeyZMILAQVJEZGYSY-UHFFFAOYSA-N
MW1132.38 g/mol
LogP6.46
Rot. Bonds15

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

tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);samarium (PubChem CID 139213294) has the molecular formula C51H51N9O12Sm and a molecular weight of 1132.38 g/mol. Its IUPAC name is tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);samarium.

Molecular Properties

Compound Nametris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);samarium
PubChem CID139213294
Molecular FormulaC51H51N9O12Sm
Molecular Weight1132.38 g/mol
Exact Mass1133.29
IUPAC Nametris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);samarium
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.[Sm]
InChIInChI=1S/3C17H17N3O4.Sm/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);
InChIKeyZMILAQVJEZGYSY-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 ≤ 5001132.38
LogP ≤ 56.46
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

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Related Compounds

4-(3-(2-Phenylacetamido)phenyl)pyridine-2,6-dicarboxylic acid
CID 137658451
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);samarium
CID 139213299
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);europium
CID 139213314
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);terbium
CID 139213329
Dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid)
CID 139213344
N-(4-piperidin-3-ylphenyl)-4-propylbenzamide;4-(2-pyrrolidin-3-ylethyl)aniline;5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 89103939
bis[[[[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane;2-N-[[2-(2-cyanophenyl)phenyl]methyl]-6-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;6-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid;sulfanylidene-[[[[[[[[[[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane
CID 160833534
4-[4-[[4-(1-Cyclohexylethylcarbamoyl)-2-phenylquinolin-3-yl]methyl]piperazine-1-carbonyl]benzoic acid
CID 44215521
6-[[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 155783393
2-N,6-N-bis[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]pyridine-2,6-dicarboxamide
CID 11801463
2,2'-bipyridine-6,6'-dicarboxylic acid N,N'-bis(4-hexylphenyl)amide
CID 132275939
6-((1-(Naphthalen-2-yl)ethyl)carbamoyl)picolinic acid
CID 139044290

Frequently Asked Questions

What is the IUPAC name of tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);samarium?
The IUPAC name of tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);samarium (CID 139213294) is tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);samarium.
What is the SMILES notation for tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);samarium?
The canonical SMILES for tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);samarium 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.[Sm].
What is the InChIKey of tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);samarium?
The InChIKey is ZMILAQVJEZGYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H17N3O4.Sm/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);samarium?
tris(4-(4-acetamidophenyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);samarium has a molecular weight of 1132.38 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);samarium is sourced from PubChem (CID 139213294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).