dicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate

C32H36Cu2N4O8 — CID 139078058

IUPACdicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Cc1cccc(Nc2ccccn2)c1.Cc1cccc(Nc2ccccn2)c1.[Cu+2].[Cu+2]
InChIInChI=1S/2C12H12N2.4C2H4O2.2Cu/c2*1-10-5-4-6-11(9-10)14-12-7-2-3-8-13-12;4*1-2(3)4;;/h2*2-9H,1H3,(H,13,14);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4
InChIKeyLWMLFIQZBQQYEL-UHFFFAOYSA-J
MW731.75 g/mol
LogP1.29
Rot. Bonds4

About dicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate

dicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate (PubChem CID 139078058) has the molecular formula C32H36Cu2N4O8 and a molecular weight of 731.75 g/mol. Its IUPAC name is dicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate.

Molecular Properties

Compound Namedicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate
PubChem CID139078058
Molecular FormulaC32H36Cu2N4O8
Molecular Weight731.75 g/mol
Exact Mass730.11
IUPAC Namedicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Cc1cccc(Nc2ccccn2)c1.Cc1cccc(Nc2ccccn2)c1.[Cu+2].[Cu+2]
InChIInChI=1S/2C12H12N2.4C2H4O2.2Cu/c2*1-10-5-4-6-11(9-10)14-12-7-2-3-8-13-12;4*1-2(3)4;;/h2*2-9H,1H3,(H,13,14);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4
InChIKeyLWMLFIQZBQQYEL-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

N-(3-methylphenyl)pyridin-2-amine
CID 12695761
dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate
CID 139082295
copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate
CID 139059840
N'-[4-(3-methylanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide
CID 71591650
lithium 3-[(4-methyl-2-pyridinyl)amino]benzoate
CID 178157804
(2R)-2-[3-(pyridin-2-ylamino)phenyl]propanoic acid
CID 92845475
2-[3-(pyridin-2-ylamino)phenyl]propanamide
CID 67198973
N-(3-methylphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide
CID 3101293
N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide
CID 110179055
6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109162236
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
1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea
CID 162652713

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate?
The IUPAC name of dicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate (CID 139078058) is dicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate.
What is the SMILES notation for dicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate?
The canonical SMILES for dicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Cc1cccc(Nc2ccccn2)c1.Cc1cccc(Nc2ccccn2)c1.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;bis(N-(3-methylphenyl)pyridin-2-amine);tetraacetate?
The InChIKey is LWMLFIQZBQQYEL-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H12N2.4C2H4O2.2Cu/c2*1-10-5-4-6-11(9-10)14-12-7-2-3-8-13-12;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-(3-methylphenyl)pyridin-2-amine);tetraacetate?
dicopper;bis(N-(3-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-(3-methylphenyl)pyridin-2-amine);tetraacetate is sourced from PubChem (CID 139078058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).