tris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium

C57H48N6O9Sm — CID 139213305

IUPACtris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium
SMILESCCNC(=O)c1cc(-c2cccc3ccccc23)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2cccc3ccccc23)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2cccc3ccccc23)cc(C(=O)O)n1.[Sm]
InChIInChI=1S/3C19H16N2O3.Sm/c3*1-2-20-18(22)16-10-13(11-17(21-16)19(23)24)15-9-5-7-12-6-3-4-8-14(12)15;/h3*3-11H,2H2,1H3,(H,20,22)(H,23,24);
InChIKeyWPBJNJKGTDMGDK-UHFFFAOYSA-N
MW1111.40 g/mol
LogP10.05
Rot. Bonds12

About tris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium

tris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium (PubChem CID 139213305) has the molecular formula C57H48N6O9Sm and a molecular weight of 1111.40 g/mol. Its IUPAC name is tris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium.

Molecular Properties

Compound Nametris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium
PubChem CID139213305
Molecular FormulaC57H48N6O9Sm
Molecular Weight1111.40 g/mol
Exact Mass1112.27
IUPAC Nametris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium
SMILESCCNC(=O)c1cc(-c2cccc3ccccc23)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2cccc3ccccc23)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2cccc3ccccc23)cc(C(=O)O)n1.[Sm]
InChIInChI=1S/3C19H16N2O3.Sm/c3*1-2-20-18(22)16-10-13(11-17(21-16)19(23)24)15-9-5-7-12-6-3-4-8-14(12)15;/h3*3-11H,2H2,1H3,(H,20,22)(H,23,24);
InChIKeyWPBJNJKGTDMGDK-UHFFFAOYSA-N
XLogP10.05
TPSA237.87 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001111.40
LogP ≤ 510.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

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
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
5-[6-(4,4-Difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxamide;5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-fluoropyridine-2-carboxylic acid
CID 164003280
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
6-((1-(Naphthalen-2-yl)ethyl)carbamoyl)picolinic acid
CID 139044290
6-[[(1S)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylic acid
CID 139044291
6-(Ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid
CID 139213290
Tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid);samarium
CID 139213293

Frequently Asked Questions

What is the IUPAC name of tris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium?
The IUPAC name of tris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium (CID 139213305) is tris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium.
What is the SMILES notation for tris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium?
The canonical SMILES for tris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium is CCNC(=O)c1cc(-c2cccc3ccccc23)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2cccc3ccccc23)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2cccc3ccccc23)cc(C(=O)O)n1.[Sm].
What is the InChIKey of tris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium?
The InChIKey is WPBJNJKGTDMGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H16N2O3.Sm/c3*1-2-20-18(22)16-10-13(11-17(21-16)19(23)24)15-9-5-7-12-6-3-4-8-14(12)15;/h3*3-11H,2H2,1H3,(H,20,22)(H,23,24);.
What are the key properties of tris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium?
tris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium has a molecular weight of 1111.40 g/mol, XLogP of 10.05, 12 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(6-(ethylcarbamoyl)-4-naphthalen-1-ylpyridine-2-carboxylic acid);samarium is sourced from PubChem (CID 139213305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).