copper;acetic acid;bis(pyridine-4-carboxamide);diacetate

C20H26CuN4O10 — CID 139155367

IUPACcopper;acetic acid;bis(pyridine-4-carboxamide);diacetate
SMILESCC(=O)O.CC(=O)O.CC(=O)[O-].CC(=O)[O-].NC(=O)c1ccncc1.NC(=O)c1ccncc1.[Cu+2]
InChIInChI=1S/2C6H6N2O.4C2H4O2.Cu/c2*7-6(9)5-1-3-8-4-2-5;4*1-2(3)4;/h2*1-4H,(H2,7,9);4*1H3,(H,3,4);/q;;;;;;+2/p-2
InChIKeyQUMJQJKLIOBJTQ-UHFFFAOYSA-L
MW545.99 g/mol
LogP-1.95
Rot. Bonds2

About copper;acetic acid;bis(pyridine-4-carboxamide);diacetate

copper;acetic acid;bis(pyridine-4-carboxamide);diacetate (PubChem CID 139155367) has the molecular formula C20H26CuN4O10 and a molecular weight of 545.99 g/mol. Its IUPAC name is copper;acetic acid;bis(pyridine-4-carboxamide);diacetate.

Molecular Properties

Compound Namecopper;acetic acid;bis(pyridine-4-carboxamide);diacetate
PubChem CID139155367
Molecular FormulaC20H26CuN4O10
Molecular Weight545.99 g/mol
Exact Mass545.09
IUPAC Namecopper;acetic acid;bis(pyridine-4-carboxamide);diacetate
SMILESCC(=O)O.CC(=O)O.CC(=O)[O-].CC(=O)[O-].NC(=O)c1ccncc1.NC(=O)c1ccncc1.[Cu+2]
InChIInChI=1S/2C6H6N2O.4C2H4O2.Cu/c2*7-6(9)5-1-3-8-4-2-5;4*1-2(3)4;/h2*1-4H,(H2,7,9);4*1H3,(H,3,4);/q;;;;;;+2/p-2
InChIKeyQUMJQJKLIOBJTQ-UHFFFAOYSA-L
XLogP-1.95
TPSA266.82 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.99
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

propan-2-one;pyridine-4-carboxamide
CID 174689468
pyridine;pyridine-4-carboxamide
CID 70513287
benzamide;pyridine-4-carboxamide
CID 175267661
hydrazine;pyridine-4-carboxamide;hydrate
CID 170336563
copper;bis(4-methylbenzoate);bis(pyridine-4-carboxamide);dihydrate
CID 139079434
copper;bis(4-fluorobenzoate);4-fluorobenzoic acid;bis(pyridine-4-carboxamide)
CID 139081538
(E)-hex-2-enoic acid;pyridine-4-carboxamide
CID 139145861
benzamide;pyrazine
CID 67119172
copper;bis(4-methylpyridine);diacetate
CID 139057295
nonanedioic acid;bis(pyridine-4-carboxamide)
CID 139205511
zinc;bis(pyridine-4-carboxamide);diisothiocyanate
CID 139088078
pyridine-4-carboxamide;4-sulfamoylbenzoic acid
CID 139186564

Frequently Asked Questions

What is the IUPAC name of copper;acetic acid;bis(pyridine-4-carboxamide);diacetate?
The IUPAC name of copper;acetic acid;bis(pyridine-4-carboxamide);diacetate (CID 139155367) is copper;acetic acid;bis(pyridine-4-carboxamide);diacetate.
What is the SMILES notation for copper;acetic acid;bis(pyridine-4-carboxamide);diacetate?
The canonical SMILES for copper;acetic acid;bis(pyridine-4-carboxamide);diacetate is CC(=O)O.CC(=O)O.CC(=O)[O-].CC(=O)[O-].NC(=O)c1ccncc1.NC(=O)c1ccncc1.[Cu+2].
What is the InChIKey of copper;acetic acid;bis(pyridine-4-carboxamide);diacetate?
The InChIKey is QUMJQJKLIOBJTQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6N2O.4C2H4O2.Cu/c2*7-6(9)5-1-3-8-4-2-5;4*1-2(3)4;/h2*1-4H,(H2,7,9);4*1H3,(H,3,4);/q;;;;;;+2/p-2.
What are the key properties of copper;acetic acid;bis(pyridine-4-carboxamide);diacetate?
copper;acetic acid;bis(pyridine-4-carboxamide);diacetate has a molecular weight of 545.99 g/mol, XLogP of -1.95, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;acetic acid;bis(pyridine-4-carboxamide);diacetate is sourced from PubChem (CID 139155367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).