copper;(2S,3R)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;2-pyridin-2-ylpyridine

C25H21CuN3O4 — CID 139074603

IUPACcopper;(2S,3R)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;2-pyridin-2-ylpyridine
SMILESC[C@@H](O)[C@H](/N=C/c1c([O-])ccc2ccccc12)C(=O)[O-].[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C15H15NO4.C10H8N2.Cu/c1-9(17)14(15(19)20)16-8-12-11-5-3-2-4-10(11)6-7-13(12)18;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2-9,14,17-18H,1H3,(H,19,20);1-8H;/q;;+2/p-2/b16-8+;;/t9-,14+;;/m1../s1
InChIKeyAUFKHYVYFQQRKE-HKYFPSSMSA-L
MW491.01 g/mol
LogP1.97
Rot. Bonds5

About copper;(2S,3R)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;2-pyridin-2-ylpyridine

copper;(2S,3R)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;2-pyridin-2-ylpyridine (PubChem CID 139074603) has the molecular formula C25H21CuN3O4 and a molecular weight of 491.01 g/mol. Its IUPAC name is copper;(2S,3R)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namecopper;(2S,3R)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;2-pyridin-2-ylpyridine
PubChem CID139074603
Molecular FormulaC25H21CuN3O4
Molecular Weight491.01 g/mol
Exact Mass490.08
IUPAC Namecopper;(2S,3R)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;2-pyridin-2-ylpyridine
SMILESC[C@@H](O)[C@H](/N=C/c1c([O-])ccc2ccccc12)C(=O)[O-].[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C15H15NO4.C10H8N2.Cu/c1-9(17)14(15(19)20)16-8-12-11-5-3-2-4-10(11)6-7-13(12)18;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2-9,14,17-18H,1H3,(H,19,20);1-8H;/q;;+2/p-2/b16-8+;;/t9-,14+;;/m1../s1
InChIKeyAUFKHYVYFQQRKE-HKYFPSSMSA-L
XLogP1.97
TPSA121.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[1-[(2-Hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-yl] acetate
CID 56682559
{N-[(2-Oxido-1-naphthyl)methylidene]serinato-kappa^3^O,N,O'}(1,10-phenanthroline-kappa^2^N,N')copper(II)
CID 139078812
(2,2'-Bipyridine-kappa^2^N,N'){N-[(2-oxidonaphthalen-1-yl-kappaO)methylidene]-L-valinato-kappaO}copper(II) trihydrate
CID 139083753
Copper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate
CID 139177150

Frequently Asked Questions

What is the IUPAC name of copper;(2S,3R)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;2-pyridin-2-ylpyridine?
The IUPAC name of copper;(2S,3R)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;2-pyridin-2-ylpyridine (CID 139074603) is copper;(2S,3R)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;2-pyridin-2-ylpyridine.
What is the SMILES notation for copper;(2S,3R)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;2-pyridin-2-ylpyridine?
The canonical SMILES for copper;(2S,3R)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;2-pyridin-2-ylpyridine is C[C@@H](O)[C@H](/N=C/c1c([O-])ccc2ccccc12)C(=O)[O-].[Cu+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;(2S,3R)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;2-pyridin-2-ylpyridine?
The InChIKey is AUFKHYVYFQQRKE-HKYFPSSMSA-L. The full InChI is InChI=1S/C15H15NO4.C10H8N2.Cu/c1-9(17)14(15(19)20)16-8-12-11-5-3-2-4-10(11)6-7-13(12)18;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2-9,14,17-18H,1H3,(H,19,20);1-8H;/q;;+2/p-2/b16-8+;;/t9-,14+;;/m1../s1.
What are the key properties of copper;(2S,3R)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;2-pyridin-2-ylpyridine?
copper;(2S,3R)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;2-pyridin-2-ylpyridine has a molecular weight of 491.01 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(2S,3R)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;2-pyridin-2-ylpyridine is sourced from PubChem (CID 139074603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).