dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate

C32H36Cu2N4O8 — CID 139082295

IUPACdicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Cc1ccc(Nc2ccccn2)cc1.Cc1ccc(Nc2ccccn2)cc1.[Cu+2].[Cu+2]
InChIInChI=1S/2C12H12N2.4C2H4O2.2Cu/c2*1-10-5-7-11(8-6-10)14-12-4-2-3-9-13-12;4*1-2(3)4;;/h2*2-9H,1H3,(H,13,14);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4
InChIKeyDFACCIPETBEETB-UHFFFAOYSA-J
MW731.75 g/mol
LogP1.29
Rot. Bonds4

About dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate

dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate (PubChem CID 139082295) has the molecular formula C32H36Cu2N4O8 and a molecular weight of 731.75 g/mol. Its IUPAC name is dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate.

Molecular Properties

Compound Namedicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate
PubChem CID139082295
Molecular FormulaC32H36Cu2N4O8
Molecular Weight731.75 g/mol
Exact Mass730.11
IUPAC Namedicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Cc1ccc(Nc2ccccn2)cc1.Cc1ccc(Nc2ccccn2)cc1.[Cu+2].[Cu+2]
InChIInChI=1S/2C12H12N2.4C2H4O2.2Cu/c2*1-10-5-7-11(8-6-10)14-12-4-2-3-9-13-12;4*1-2(3)4;;/h2*2-9H,1H3,(H,13,14);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4
InChIKeyDFACCIPETBEETB-UHFFFAOYSA-J
XLogP1.29
TPSA210.36 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.75
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Related Compounds

dicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate
CID 139078058
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate
CID 139059840
N-(4-chlorophenyl)pyridin-2-amine
CID 139075249
methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate
CID 13054234
N-(3-methylphenyl)pyridin-2-amine
CID 12695761
(Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-N-pyridin-2-ylbut-2-enamide
CID 137144324
bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium)
CID 139144132
N-[2-(4-methylanilino)phenyl]pyridine-2-carboxamide
CID 108745005
2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 6920825
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide
CID 122316969
1-(4-methylphenyl)-5-oxo-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrrolidine-3-carboxamide
CID 122315960

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate?
The IUPAC name of dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate (CID 139082295) is dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate.
What is the SMILES notation for dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate?
The canonical SMILES for dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Cc1ccc(Nc2ccccn2)cc1.Cc1ccc(Nc2ccccn2)cc1.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate?
The InChIKey is DFACCIPETBEETB-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H12N2.4C2H4O2.2Cu/c2*1-10-5-7-11(8-6-10)14-12-4-2-3-9-13-12;4*1-2(3)4;;/h2*2-9H,1H3,(H,13,14);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate?
dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate has a molecular weight of 731.75 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate is sourced from PubChem (CID 139082295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).