zinc [(2-hydroxyphenyl)-pyridin-2-ylmethyl]-[2-[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]azanidylethyl]azanide

C26H24N4O2Zn — CID 145259802

IUPACzinc [(2-hydroxyphenyl)-pyridin-2-ylmethyl]-[2-[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]azanidylethyl]azanide
SMILESOc1ccccc1C([N-]CC[N-][C@@H](c1ccccn1)c1ccccc1O)c1ccccn1.[Zn+2]
InChIInChI=1S/C26H24N4O2.Zn/c31-23-13-3-1-9-19(23)25(21-11-5-7-15-27-21)29-17-18-30-26(22-12-6-8-16-28-22)20-10-2-4-14-24(20)32;/h1-16,25-26,31-32H,17-18H2;/q-2;+2/t25-,26?;/m1./s1
InChIKeyYMVOYMGIZJMQPN-FJGRWCOESA-N
MW489.89 g/mol
LogP5.51
Rot. Bonds9

About zinc [(2-hydroxyphenyl)-pyridin-2-ylmethyl]-[2-[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]azanidylethyl]azanide

zinc [(2-hydroxyphenyl)-pyridin-2-ylmethyl]-[2-[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]azanidylethyl]azanide (PubChem CID 145259802) has the molecular formula C26H24N4O2Zn and a molecular weight of 489.89 g/mol. Its IUPAC name is zinc [(2-hydroxyphenyl)-pyridin-2-ylmethyl]-[2-[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]azanidylethyl]azanide.

Molecular Properties

Compound Namezinc [(2-hydroxyphenyl)-pyridin-2-ylmethyl]-[2-[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]azanidylethyl]azanide
PubChem CID145259802
Molecular FormulaC26H24N4O2Zn
Molecular Weight489.89 g/mol
Exact Mass488.12
IUPAC Namezinc [(2-hydroxyphenyl)-pyridin-2-ylmethyl]-[2-[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]azanidylethyl]azanide
SMILESOc1ccccc1C([N-]CC[N-][C@@H](c1ccccn1)c1ccccc1O)c1ccccn1.[Zn+2]
InChIInChI=1S/C26H24N4O2.Zn/c31-23-13-3-1-9-19(23)25(21-11-5-7-15-27-21)29-17-18-30-26(22-12-6-8-16-28-22)20-10-2-4-14-24(20)32;/h1-16,25-26,31-32H,17-18H2;/q-2;+2/t25-,26?;/m1./s1
InChIKeyYMVOYMGIZJMQPN-FJGRWCOESA-N
XLogP5.51
TPSA94.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.89
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc [(2-hydroxyphenyl)-pyridin-2-ylmethyl]-[2-[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]azanidylethyl]azanide?
The IUPAC name of zinc [(2-hydroxyphenyl)-pyridin-2-ylmethyl]-[2-[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]azanidylethyl]azanide (CID 145259802) is zinc [(2-hydroxyphenyl)-pyridin-2-ylmethyl]-[2-[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]azanidylethyl]azanide.
What is the SMILES notation for zinc [(2-hydroxyphenyl)-pyridin-2-ylmethyl]-[2-[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]azanidylethyl]azanide?
The canonical SMILES for zinc [(2-hydroxyphenyl)-pyridin-2-ylmethyl]-[2-[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]azanidylethyl]azanide is Oc1ccccc1C([N-]CC[N-][C@@H](c1ccccn1)c1ccccc1O)c1ccccn1.[Zn+2].
What is the InChIKey of zinc [(2-hydroxyphenyl)-pyridin-2-ylmethyl]-[2-[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]azanidylethyl]azanide?
The InChIKey is YMVOYMGIZJMQPN-FJGRWCOESA-N. The full InChI is InChI=1S/C26H24N4O2.Zn/c31-23-13-3-1-9-19(23)25(21-11-5-7-15-27-21)29-17-18-30-26(22-12-6-8-16-28-22)20-10-2-4-14-24(20)32;/h1-16,25-26,31-32H,17-18H2;/q-2;+2/t25-,26?;/m1./s1.
What are the key properties of zinc [(2-hydroxyphenyl)-pyridin-2-ylmethyl]-[2-[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]azanidylethyl]azanide?
zinc [(2-hydroxyphenyl)-pyridin-2-ylmethyl]-[2-[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]azanidylethyl]azanide has a molecular weight of 489.89 g/mol, XLogP of 5.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc [(2-hydroxyphenyl)-pyridin-2-ylmethyl]-[2-[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]azanidylethyl]azanide is sourced from PubChem (CID 145259802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).