copper;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine

C14H14CuN4O3 — CID 57373070

IUPACcopper;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine
SMILESCOc1cccc(C=NN=C(N)[O-])c1[O-].[Cu+2].c1ccncc1
InChIInChI=1S/C9H11N3O3.C5H5N.Cu/c1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14;1-2-4-6-5-3-1;/h2-5,13H,1H3,(H3,10,12,14);1-5H;/q;;+2/p-2
InChIKeyLVRYHEMSSKNPAO-UHFFFAOYSA-L
MW349.84 g/mol
LogP-0.14
Rot. Bonds3

About copper;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine

copper;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine (PubChem CID 57373070) has the molecular formula C14H14CuN4O3 and a molecular weight of 349.84 g/mol. Its IUPAC name is copper;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine.

Molecular Properties

Compound Namecopper;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine
PubChem CID57373070
Molecular FormulaC14H14CuN4O3
Molecular Weight349.84 g/mol
Exact Mass349.04
IUPAC Namecopper;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine
SMILESCOc1cccc(C=NN=C(N)[O-])c1[O-].[Cu+2].c1ccncc1
InChIInChI=1S/C9H11N3O3.C5H5N.Cu/c1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14;1-2-4-6-5-3-1;/h2-5,13H,1H3,(H3,10,12,14);1-5H;/q;;+2/p-2
InChIKeyLVRYHEMSSKNPAO-UHFFFAOYSA-L
XLogP-0.14
TPSA118.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze copper;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine 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;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine?
The IUPAC name of copper;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine (CID 57373070) is copper;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine.
What is the SMILES notation for copper;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine?
The canonical SMILES for copper;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine is COc1cccc(C=NN=C(N)[O-])c1[O-].[Cu+2].c1ccncc1.
What is the InChIKey of copper;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine?
The InChIKey is LVRYHEMSSKNPAO-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H11N3O3.C5H5N.Cu/c1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14;1-2-4-6-5-3-1;/h2-5,13H,1H3,(H3,10,12,14);1-5H;/q;;+2/p-2.
What are the key properties of copper;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine?
copper;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine has a molecular weight of 349.84 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;N'-[(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate;pyridine is sourced from PubChem (CID 57373070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).