copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine

C14H17CuN4O3+3 — CID 50910692

IUPACcopper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine
SMILESCOc1cccc(C=NNC(N)=O)c1[OH2+].[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+1
InChIKeyLVRYHEMSSKNPAO-UHFFFAOYSA-O
MW352.86 g/mol
LogP1.21
Rot. Bonds3

About copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine

copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine (PubChem CID 50910692) has the molecular formula C14H17CuN4O3+3 and a molecular weight of 352.86 g/mol. Its IUPAC name is copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine.

Molecular Properties

Compound Namecopper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine
PubChem CID50910692
Molecular FormulaC14H17CuN4O3+3
Molecular Weight352.86 g/mol
Exact Mass352.06
IUPAC Namecopper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine
SMILESCOc1cccc(C=NNC(N)=O)c1[OH2+].[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+1
InChIKeyLVRYHEMSSKNPAO-UHFFFAOYSA-O
XLogP1.21
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide
CID 50911188
cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate
CID 135484834
manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium
CID 50910170
[2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+)
CID 50910386
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea
CID 168533023
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
copper;2-[[2-[(3-methoxy-2-oxoniophenyl)methylidene]hydrazinyl]-oxoniumylidenemethyl]phenolate;hydroxide
CID 3876946
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
[(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 110340334
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 139060030

Frequently Asked Questions

What is the IUPAC name of copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine?
The IUPAC name of copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine (CID 50910692) is copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine.
What is the SMILES notation for copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine?
The canonical SMILES for copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine is COc1cccc(C=NNC(N)=O)c1[OH2+].[Cu+2].c1ccncc1.
What is the InChIKey of copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine?
The InChIKey is LVRYHEMSSKNPAO-UHFFFAOYSA-O. 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+1.
What are the key properties of copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine?
copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine has a molecular weight of 352.86 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine is sourced from PubChem (CID 50910692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).