copper;bis(pyridine-3-carboxamide);dibenzoate

C26H22CuN4O6 — CID 139054914

IUPACcopper;bis(pyridine-3-carboxamide);dibenzoate
SMILESNC(=O)c1cccnc1.NC(=O)c1cccnc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2]
InChIInChI=1S/2C7H6O2.2C6H6N2O.Cu/c2*8-7(9)6-4-2-1-3-5-6;2*7-6(9)5-2-1-3-8-4-5;/h2*1-5H,(H,8,9);2*1-4H,(H2,7,9);/q;;;;+2/p-2
InChIKeyQGPBOZUPLIQNQJ-UHFFFAOYSA-L
MW550.03 g/mol
LogP0.46
Rot. Bonds4

About copper;bis(pyridine-3-carboxamide);dibenzoate

copper;bis(pyridine-3-carboxamide);dibenzoate (PubChem CID 139054914) has the molecular formula C26H22CuN4O6 and a molecular weight of 550.03 g/mol. Its IUPAC name is copper;bis(pyridine-3-carboxamide);dibenzoate.

Molecular Properties

Compound Namecopper;bis(pyridine-3-carboxamide);dibenzoate
PubChem CID139054914
Molecular FormulaC26H22CuN4O6
Molecular Weight550.03 g/mol
Exact Mass549.08
IUPAC Namecopper;bis(pyridine-3-carboxamide);dibenzoate
SMILESNC(=O)c1cccnc1.NC(=O)c1cccnc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2]
InChIInChI=1S/2C7H6O2.2C6H6N2O.Cu/c2*8-7(9)6-4-2-1-3-5-6;2*7-6(9)5-2-1-3-8-4-5;/h2*1-5H,(H,8,9);2*1-4H,(H2,7,9);/q;;;;+2/p-2
InChIKeyQGPBOZUPLIQNQJ-UHFFFAOYSA-L
XLogP0.46
TPSA192.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.03
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze copper;bis(pyridine-3-carboxamide);dibenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Copper(2+) benzoate--3-(1-methylpyrrolidin-2-yl)pyridine (1/2/1)
CID 3048881
Methyl 4-[bis(pyridine-3-carbonylamino)methyl]benzoate
CID 2496100
3-{[(Triphenylstannyl)oxy]carbonyl}pyridine
CID 16696712
4,4'-([2,3'-Bipyridine]-4,6-diyl) dibenzoic acid
CID 155920059
Aluminum;bis(pyridine-4-carboxylate);2-[3-(trifluoromethyl)anilino]benzoate
CID 21502160
(3-carbamoyl-N-(6-fluoropyridine-3-carbonyl)anilino) 6-fluoropyridine-3-carboxylate
CID 175985123
(3-carbamoyl-N-(6-fluoropyridine-3-carbonyl)anilino) 4-fluorobenzoate
CID 175985130
(3-carbamoyl-N-(6-fluoropyridine-3-carbonyl)anilino) benzoate
CID 175985136
Triphenylantimony bis(nicotinate)
CID 16696457
[Tris(4-methylphenyl)-(pyridine-3-carbonyloxy)-lambda5-stibanyl] pyridine-3-carboxylate
CID 16696458
4-[[4-[1-[(4-Carboxyphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoic acid
CID 86074431
Hexadecylpyridinium bromide benzoate
CID 129705182

Frequently Asked Questions

What is the IUPAC name of copper;bis(pyridine-3-carboxamide);dibenzoate?
The IUPAC name of copper;bis(pyridine-3-carboxamide);dibenzoate (CID 139054914) is copper;bis(pyridine-3-carboxamide);dibenzoate.
What is the SMILES notation for copper;bis(pyridine-3-carboxamide);dibenzoate?
The canonical SMILES for copper;bis(pyridine-3-carboxamide);dibenzoate is NC(=O)c1cccnc1.NC(=O)c1cccnc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2].
What is the InChIKey of copper;bis(pyridine-3-carboxamide);dibenzoate?
The InChIKey is QGPBOZUPLIQNQJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O2.2C6H6N2O.Cu/c2*8-7(9)6-4-2-1-3-5-6;2*7-6(9)5-2-1-3-8-4-5;/h2*1-5H,(H,8,9);2*1-4H,(H2,7,9);/q;;;;+2/p-2.
What are the key properties of copper;bis(pyridine-3-carboxamide);dibenzoate?
copper;bis(pyridine-3-carboxamide);dibenzoate has a molecular weight of 550.03 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(pyridine-3-carboxamide);dibenzoate is sourced from PubChem (CID 139054914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).