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

C27H30DyN6O9 — CID 139213338

IUPACdysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)
SMILESCCNC(=O)c1cccc(C(=O)O)n1.CCNC(=O)c1cccc(C(=O)O)n1.CCNC(=O)c1cccc(C(=O)O)n1.[Dy]
InChIInChI=1S/3C9H10N2O3.Dy/c3*1-2-10-8(12)6-4-3-5-7(11-6)9(13)14;/h3*3-5H,2H2,1H3,(H,10,12)(H,13,14);
InChIKeyXVPHIPTXYWKJLS-UHFFFAOYSA-N
MW745.07 g/mol
LogP1.59
Rot. Bonds9

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

dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid) (PubChem CID 139213338) has the molecular formula C27H30DyN6O9 and a molecular weight of 745.07 g/mol. Its IUPAC name is dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid).

Molecular Properties

Compound Namedysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)
PubChem CID139213338
Molecular FormulaC27H30DyN6O9
Molecular Weight745.07 g/mol
Exact Mass746.14
IUPAC Namedysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)
SMILESCCNC(=O)c1cccc(C(=O)O)n1.CCNC(=O)c1cccc(C(=O)O)n1.CCNC(=O)c1cccc(C(=O)O)n1.[Dy]
InChIInChI=1S/3C9H10N2O3.Dy/c3*1-2-10-8(12)6-4-3-5-7(11-6)9(13)14;/h3*3-5H,2H2,1H3,(H,10,12)(H,13,14);
InChIKeyXVPHIPTXYWKJLS-UHFFFAOYSA-N
XLogP1.59
TPSA237.87 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.07
LogP ≤ 51.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid
CID 119186122
6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid
CID 115408328
ethane;N-ethyl-6-propan-2-ylpyridine-2-carboxamide
CID 177347267
6-(2-propan-2-yloxyethylcarbamoyl)pyridine-2-carboxylic acid
CID 104764713
CID 91986542
CID 91986542
6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid
CID 115730327
N-ethyl-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575172
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262
6-(dimethylaminocarbamoyl)pyridine-2-carboxylic acid
CID 83023717
6-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 62238851
6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 75513273
6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 103790332

Frequently Asked Questions

What is the IUPAC name of dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)?
The IUPAC name of dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid) (CID 139213338) is dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid).
What is the SMILES notation for dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)?
The canonical SMILES for dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid) is CCNC(=O)c1cccc(C(=O)O)n1.CCNC(=O)c1cccc(C(=O)O)n1.CCNC(=O)c1cccc(C(=O)O)n1.[Dy].
What is the InChIKey of dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)?
The InChIKey is XVPHIPTXYWKJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H10N2O3.Dy/c3*1-2-10-8(12)6-4-3-5-7(11-6)9(13)14;/h3*3-5H,2H2,1H3,(H,10,12)(H,13,14);.
What are the key properties of dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)?
dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid) has a molecular weight of 745.07 g/mol, XLogP of 1.59, 9 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid) is sourced from PubChem (CID 139213338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).