copper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate

C26H27Cl2CuN5O3 — CID 139185941

IUPACcopper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate
SMILESCN(C)c1ccncc1.O.O.[Cl-].[Cl-].[Cu+2].c1ccc(-c2cc(-c3ccco3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C19H13N3O.C7H10N2.2ClH.Cu.2H2O/c1-3-9-20-15(6-1)17-12-14(19-8-5-11-23-19)13-18(22-17)16-7-2-4-10-21-16;1-9(2)7-3-5-8-6-4-7;;;;;/h1-13H;3-6H,1-2H3;2*1H;;2*1H2/q;;;;+2;;/p-2
InChIKeyQJLRZVSABLRHIV-UHFFFAOYSA-L
MW591.99 g/mol
LogP-2.03
Rot. Bonds4

About copper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate

copper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate (PubChem CID 139185941) has the molecular formula C26H27Cl2CuN5O3 and a molecular weight of 591.99 g/mol. Its IUPAC name is copper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate.

Molecular Properties

Compound Namecopper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate
PubChem CID139185941
Molecular FormulaC26H27Cl2CuN5O3
Molecular Weight591.99 g/mol
Exact Mass590.08
IUPAC Namecopper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate
SMILESCN(C)c1ccncc1.O.O.[Cl-].[Cl-].[Cu+2].c1ccc(-c2cc(-c3ccco3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C19H13N3O.C7H10N2.2ClH.Cu.2H2O/c1-3-9-20-15(6-1)17-12-14(19-8-5-11-23-19)13-18(22-17)16-7-2-4-10-21-16;1-9(2)7-3-5-8-6-4-7;;;;;/h1-13H;3-6H,1-2H3;2*1H;;2*1H2/q;;;;+2;;/p-2
InChIKeyQJLRZVSABLRHIV-UHFFFAOYSA-L
XLogP-2.03
TPSA130.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.99
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of copper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate?
The IUPAC name of copper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate (CID 139185941) is copper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate.
What is the SMILES notation for copper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate?
The canonical SMILES for copper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate is CN(C)c1ccncc1.O.O.[Cl-].[Cl-].[Cu+2].c1ccc(-c2cc(-c3ccco3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of copper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate?
The InChIKey is QJLRZVSABLRHIV-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H13N3O.C7H10N2.2ClH.Cu.2H2O/c1-3-9-20-15(6-1)17-12-14(19-8-5-11-23-19)13-18(22-17)16-7-2-4-10-21-16;1-9(2)7-3-5-8-6-4-7;;;;;/h1-13H;3-6H,1-2H3;2*1H;;2*1H2/q;;;;+2;;/p-2.
What are the key properties of copper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate?
copper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate has a molecular weight of 591.99 g/mol, XLogP of -2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate is sourced from PubChem (CID 139185941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).