disilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate

C56H48Ag2N10O18 — CID 139198327

IUPACdisilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+]
InChIInChI=1S/4C14H12N2O3.2Ag.2NO3/c4*1-19-14(18)11-4-2-10(3-5-11)13(17)16-12-6-8-15-9-7-12;;;2*2-1(3)4/h4*2-9H,1H3,(H,15,16,17);;;;/q;;;;2*+1;2*-1
InChIKeyLMDMYRRZPGOSED-UHFFFAOYSA-N
MW1364.79 g/mol
LogP8.00
Rot. Bonds12

About disilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate

disilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate (PubChem CID 139198327) has the molecular formula C56H48Ag2N10O18 and a molecular weight of 1364.79 g/mol. Its IUPAC name is disilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate.

Molecular Properties

Compound Namedisilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate
PubChem CID139198327
Molecular FormulaC56H48Ag2N10O18
Molecular Weight1364.79 g/mol
Exact Mass1362.12
IUPAC Namedisilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+]
InChIInChI=1S/4C14H12N2O3.2Ag.2NO3/c4*1-19-14(18)11-4-2-10(3-5-11)13(17)16-12-6-8-15-9-7-12;;;2*2-1(3)4/h4*2-9H,1H3,(H,15,16,17);;;;/q;;;;2*+1;2*-1
InChIKeyLMDMYRRZPGOSED-UHFFFAOYSA-N
XLogP8.00
TPSA405.56 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001364.79
LogP ≤ 58.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Methyl 4-[[3-[(4-methoxycarbonylbenzoyl)amino]pyridin-4-yl]carbamoyl]benzoate
CID 5078985
1-Heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium
CID 159204258
Bis[bis(4-aminopyridine-kappaN^1^)silver(I)] terephthalate decahydrate
CID 139068723
Dicopper;tetrakis(4-cyanobenzoate);tetrakis(pyridin-3-amine)
CID 139069068
Tetrakis(mu-4-methylbenzoato-kappaO:O')bis{[4-(dimethylamino)pyridine-kappaN^1^]zinc(II)}
CID 139077026
disilver;tetrakis(N-pyridin-4-ylbenzamide);dinitrate
CID 139119994
bis(4-(4-carboxylatophenyl)benzoate);cobalt(2+);bis(N-pyridin-1-ium-4-ylpyridin-4-amine);dihydrate
CID 139194515
zinc;bis(4-(4-carboxyphenyl)benzoate);bis(N-pyridin-4-ylpyridin-4-amine)
CID 139194516
Disilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate
CID 139198326
Silver;acetonitrile;bis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);perchlorate
CID 139198328
Diaquabis(4-methylaminobenzoato-kappaO)bis(nicotinamide-kappaN^1^)cobalt(II)
CID 168309823
zinc;bis(4-iodo-N-pyridin-4-ylbenzamide);dibenzoate
CID 168341518

Frequently Asked Questions

What is the IUPAC name of disilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate?
The IUPAC name of disilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate (CID 139198327) is disilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate.
What is the SMILES notation for disilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate?
The canonical SMILES for disilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate is COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].
What is the InChIKey of disilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate?
The InChIKey is LMDMYRRZPGOSED-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H12N2O3.2Ag.2NO3/c4*1-19-14(18)11-4-2-10(3-5-11)13(17)16-12-6-8-15-9-7-12;;;2*2-1(3)4/h4*2-9H,1H3,(H,15,16,17);;;;/q;;;;2*+1;2*-1.
What are the key properties of disilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate?
disilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate has a molecular weight of 1364.79 g/mol, XLogP of 8.00, 12 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;tetrakis(methyl 4-(pyridin-4-ylcarbamoyl)benzoate);dinitrate is sourced from PubChem (CID 139198327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).