copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate

C14H16CuN4O3 — CID 139134029

IUPACcopper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate
SMILESC/N=C(\[O-])c1cccc(/C([O-])=N/C)n1.O.[Cu+2].c1ccncc1
InChIInChI=1S/C9H11N3O2.C5H5N.Cu.H2O/c1-10-8(13)6-4-3-5-7(12-6)9(14)11-2;1-2-4-6-5-3-1;;/h3-5H,1-2H3,(H,10,13)(H,11,14);1-5H;;1H2/q;;+2;/p-2
InChIKeyDSSVHDUTRLWIJB-UHFFFAOYSA-L
MW351.85 g/mol
LogP-1.19
Rot. Bonds2

About copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate

copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate (PubChem CID 139134029) has the molecular formula C14H16CuN4O3 and a molecular weight of 351.85 g/mol. Its IUPAC name is copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate.

Molecular Properties

Compound Namecopper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate
PubChem CID139134029
Molecular FormulaC14H16CuN4O3
Molecular Weight351.85 g/mol
Exact Mass351.05
IUPAC Namecopper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate
SMILESC/N=C(\[O-])c1cccc(/C([O-])=N/C)n1.O.[Cu+2].c1ccncc1
InChIInChI=1S/C9H11N3O2.C5H5N.Cu.H2O/c1-10-8(13)6-4-3-5-7(12-6)9(14)11-2;1-2-4-6-5-3-1;;/h3-5H,1-2H3,(H,10,13)(H,11,14);1-5H;;1H2/q;;+2;/p-2
InChIKeyDSSVHDUTRLWIJB-UHFFFAOYSA-L
XLogP-1.19
TPSA128.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.85
LogP ≤ 5-1.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate?
The IUPAC name of copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate (CID 139134029) is copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate.
What is the SMILES notation for copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate?
The canonical SMILES for copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate is C/N=C(\[O-])c1cccc(/C([O-])=N/C)n1.O.[Cu+2].c1ccncc1.
What is the InChIKey of copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate?
The InChIKey is DSSVHDUTRLWIJB-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H11N3O2.C5H5N.Cu.H2O/c1-10-8(13)6-4-3-5-7(12-6)9(14)11-2;1-2-4-6-5-3-1;;/h3-5H,1-2H3,(H,10,13)(H,11,14);1-5H;;1H2/q;;+2;/p-2.
What are the key properties of copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate?
copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate has a molecular weight of 351.85 g/mol, XLogP of -1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-N,6-N-dimethylpyridine-2,6-dicarboximidate;pyridine;hydrate is sourced from PubChem (CID 139134029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).