copper;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate

C25H29CuN3O4 — CID 139126699

IUPACcopper;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate
SMILESCC(C/N=C/c1ccccc1[O-])(C/N=C/c1ccccc1[O-])c1ccccn1.CO.CO.[Cu+2]
InChIInChI=1S/C23H23N3O2.2CH4O.Cu/c1-23(22-12-6-7-13-26-22,16-24-14-18-8-2-4-10-20(18)27)17-25-15-19-9-3-5-11-21(19)28;2*1-2;/h2-15,27-28H,16-17H2,1H3;2*2H,1H3;/q;;;+2/p-2/b24-14+,25-15+;;;
InChIKeyLCIBOJRNSLGNRW-YMCUJNOTSA-L
MW499.07 g/mol
LogP1.94
Rot. Bonds7

About copper;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate

copper;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate (PubChem CID 139126699) has the molecular formula C25H29CuN3O4 and a molecular weight of 499.07 g/mol. Its IUPAC name is copper;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate.

Molecular Properties

Compound Namecopper;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate
PubChem CID139126699
Molecular FormulaC25H29CuN3O4
Molecular Weight499.07 g/mol
Exact Mass498.15
IUPAC Namecopper;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate
SMILESCC(C/N=C/c1ccccc1[O-])(C/N=C/c1ccccc1[O-])c1ccccn1.CO.CO.[Cu+2]
InChIInChI=1S/C23H23N3O2.2CH4O.Cu/c1-23(22-12-6-7-13-26-22,16-24-14-18-8-2-4-10-20(18)27)17-25-15-19-9-3-5-11-21(19)28;2*1-2;/h2-15,27-28H,16-17H2,1H3;2*2H,1H3;/q;;;+2/p-2/b24-14+,25-15+;;;
InChIKeyLCIBOJRNSLGNRW-YMCUJNOTSA-L
XLogP1.94
TPSA124.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.07
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze copper;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate 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;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate?
The IUPAC name of copper;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate (CID 139126699) is copper;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate.
What is the SMILES notation for copper;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate?
The canonical SMILES for copper;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate is CC(C/N=C/c1ccccc1[O-])(C/N=C/c1ccccc1[O-])c1ccccn1.CO.CO.[Cu+2].
What is the InChIKey of copper;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate?
The InChIKey is LCIBOJRNSLGNRW-YMCUJNOTSA-L. The full InChI is InChI=1S/C23H23N3O2.2CH4O.Cu/c1-23(22-12-6-7-13-26-22,16-24-14-18-8-2-4-10-20(18)27)17-25-15-19-9-3-5-11-21(19)28;2*1-2;/h2-15,27-28H,16-17H2,1H3;2*2H,1H3;/q;;;+2/p-2/b24-14+,25-15+;;;.
What are the key properties of copper;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate?
copper;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate has a molecular weight of 499.07 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;methanol;2-[[2-methyl-3-[(2-oxidophenyl)methylideneamino]-2-pyridin-2-ylpropyl]iminomethyl]phenolate is sourced from PubChem (CID 139126699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).