disilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate

C28H24Ag2N6O12 — CID 139198326

IUPACdisilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccnc2)cc1.COC(=O)c1ccc(C(=O)Nc2cccnc2)cc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+]
InChIInChI=1S/2C14H12N2O3.2Ag.2NO3/c2*1-19-14(18)11-6-4-10(5-7-11)13(17)16-12-3-2-8-15-9-12;;;2*2-1(3)4/h2*2-9H,1H3,(H,16,17);;;;/q;;2*+1;2*-1
InChIKeyJREXVKINLVKZSS-UHFFFAOYSA-N
MW852.27 g/mol
LogP3.76
Rot. Bonds6

About disilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate

disilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate (PubChem CID 139198326) has the molecular formula C28H24Ag2N6O12 and a molecular weight of 852.27 g/mol. Its IUPAC name is disilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate.

Molecular Properties

Compound Namedisilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate
PubChem CID139198326
Molecular FormulaC28H24Ag2N6O12
Molecular Weight852.27 g/mol
Exact Mass849.96
IUPAC Namedisilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccnc2)cc1.COC(=O)c1ccc(C(=O)Nc2cccnc2)cc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+]
InChIInChI=1S/2C14H12N2O3.2Ag.2NO3/c2*1-19-14(18)11-6-4-10(5-7-11)13(17)16-12-3-2-8-15-9-12;;;2*2-1(3)4/h2*2-9H,1H3,(H,16,17);;;;/q;;2*+1;2*-1
InChIKeyJREXVKINLVKZSS-UHFFFAOYSA-N
XLogP3.76
TPSA268.98 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.27
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

Entinostat
CID 4261
[6-[[5,6-dinitrooxyhexyl(methyl)amino]methyl]-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 145946521
2-Amino-N-{2-[(4{[(3-pyridylmethoxy)carbonylamino]methyl}phenyl)carbonylamino]phenyl}acetamide
CID 44560369
benzyl N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]carbamate
CID 66870846
Methyl 4-[4-amino-3-[[4-[(pyridin-3-ylmethoxycarbonylamino)methyl]benzoyl]amino]phenyl]benzoate
CID 25155418
Methyl 4-[({[6-oxo-1-(2-pyridinylmethyl)-3-piperidinyl]carbonyl}amino)methyl]benzoate
CID 24790183
methyl 4-[[7-(pyridine-4-carbonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoate
CID 24816872
[6-[[methyl(3-nitrooxypropyl)amino]methyl]-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;trihydrochloride
CID 145987397
pyridin-3-ylmethyl N-[[4-[(2-acetamidophenyl)carbamoyl]phenyl]methyl]carbamate
CID 10502119
CID 76309968
CID 76309968
methyl 4-[(E,4R)-2,4-dimethyl-5-oxo-1-(phenylmethoxycarbonylamino)-5-(pyridin-3-ylmethylamino)pent-2-enyl]benzoate
CID 5459546
methyl 4-[(E,4R)-4-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-5-oxo-1-(phenylmethoxycarbonylamino)-2-pyridin-3-ylpent-2-enyl]benzoate
CID 5459604

Frequently Asked Questions

What is the IUPAC name of disilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate?
The IUPAC name of disilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate (CID 139198326) is disilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate.
What is the SMILES notation for disilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate?
The canonical SMILES for disilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate is COC(=O)c1ccc(C(=O)Nc2cccnc2)cc1.COC(=O)c1ccc(C(=O)Nc2cccnc2)cc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Ag+].
What is the InChIKey of disilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate?
The InChIKey is JREXVKINLVKZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N2O3.2Ag.2NO3/c2*1-19-14(18)11-6-4-10(5-7-11)13(17)16-12-3-2-8-15-9-12;;;2*2-1(3)4/h2*2-9H,1H3,(H,16,17);;;;/q;;2*+1;2*-1.
What are the key properties of disilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate?
disilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate has a molecular weight of 852.27 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(methyl 4-(pyridin-3-ylcarbamoyl)benzoate);dinitrate is sourced from PubChem (CID 139198326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).