copper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;carbanide

C20H22CuN3O+ — CID 59551633

IUPACcopper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;carbanide
SMILESOc1ccccc1CN(Cc1ccccn1)Cc1ccccn1.[CH3-].[Cu+2]
InChIInChI=1S/C19H19N3O.CH3.Cu/c23-19-10-2-1-7-16(19)13-22(14-17-8-3-5-11-20-17)15-18-9-4-6-12-21-18;;/h1-12,23H,13-15H2;1H3;/q;-1;+2
InChIKeyUNKGYJASCLGDKN-UHFFFAOYSA-N
MW383.96 g/mol
LogP3.83
Rot. Bonds6

About copper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;carbanide

copper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;carbanide (PubChem CID 59551633) has the molecular formula C20H22CuN3O+ and a molecular weight of 383.96 g/mol. Its IUPAC name is copper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;carbanide.

Molecular Properties

Compound Namecopper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;carbanide
PubChem CID59551633
Molecular FormulaC20H22CuN3O+
Molecular Weight383.96 g/mol
Exact Mass383.11
IUPAC Namecopper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;carbanide
SMILESOc1ccccc1CN(Cc1ccccn1)Cc1ccccn1.[CH3-].[Cu+2]
InChIInChI=1S/C19H19N3O.CH3.Cu/c23-19-10-2-1-7-16(19)13-22(14-17-8-3-5-11-20-17)15-18-9-4-6-12-21-18;;/h1-12,23H,13-15H2;1H3;/q;-1;+2
InChIKeyUNKGYJASCLGDKN-UHFFFAOYSA-N
XLogP3.83
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.96
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 44532524
2-((Bis(pyridin-2-ylmethyl)amino)methyl)-4-methylphenol
CID 9996071
n-(2-Hydroxybenzyl)-n,n-bis(2-pyridylmethyl)amine
CID 12101053
n,n-Bis(2-hydroxybenzyl)-2-picolylamine
CID 15301349
2-[[2-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15493502
(N-(2-hydroxy-5-methylbenzyl)-N,N',N'-tris(2-pyridinylmethyl)-1,2-ethanediamine)
CID 102457855
6-([2,2'-Bipyridin]-6(1H)-ylidene)cyclohexa-2,4-dien-1-one
CID 135961678
Platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol
CID 58004339
2-[[6-[2,4-Difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum
CID 58004397
2-[[3-[4-Methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum
CID 58620926
4-[2-[5-(3-Fluorophenyl)-2-pyridinyl]ethenyl]-2-methyl-4,6,7,8,9,9a-hexahydropyrrolo[3,4-a]indolizine-1,3-diol
CID 123264246
4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-2-methyl-4,6,7,8,9,9a-hexahydropyrrolo[3,4-a]indolizine-1,3-diol
CID 123297188

Frequently Asked Questions

What is the IUPAC name of copper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;carbanide?
The IUPAC name of copper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;carbanide (CID 59551633) is copper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;carbanide.
What is the SMILES notation for copper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;carbanide?
The canonical SMILES for copper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;carbanide is Oc1ccccc1CN(Cc1ccccn1)Cc1ccccn1.[CH3-].[Cu+2].
What is the InChIKey of copper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;carbanide?
The InChIKey is UNKGYJASCLGDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O.CH3.Cu/c23-19-10-2-1-7-16(19)13-22(14-17-8-3-5-11-20-17)15-18-9-4-6-12-21-18;;/h1-12,23H,13-15H2;1H3;/q;-1;+2.
What are the key properties of copper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;carbanide?
copper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;carbanide has a molecular weight of 383.96 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol;carbanide is sourced from PubChem (CID 59551633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).