2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol

C26H26N4O2 — CID 145259803

IUPAC2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol
SMILESOc1ccccc1C(NCCN[C@@H](c1ccccn1)c1ccccc1O)c1ccccn1
InChIInChI=1S/C26H26N4O2/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/h1-16,25-26,29-32H,17-18H2/t25-,26?/m1/s1
InChIKeyANZTXMKFVRYSAN-DCWQJPKNSA-N
MW426.52 g/mol
LogP3.95
Rot. Bonds9

About 2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol

2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol (PubChem CID 145259803) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol.

Molecular Properties

Compound Name2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol
PubChem CID145259803
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol
SMILESOc1ccccc1C(NCCN[C@@H](c1ccccn1)c1ccccc1O)c1ccccn1
InChIInChI=1S/C26H26N4O2/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/h1-16,25-26,29-32H,17-18H2/t25-,26?/m1/s1
InChIKeyANZTXMKFVRYSAN-DCWQJPKNSA-N
XLogP3.95
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tris(2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid);dichloromanganese;2-[[2-[[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol;manganese;manganese(2+);oxaldehydic acid
CID 162299809
N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 62802656
N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 62548702
N-(dipyridin-2-ylmethyl)pentan-1-amine
CID 123815817
[naphthalen-1-yl(pyridin-2-yl)methyl]hydrazine
CID 105195962
N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 114727718
N-[(5-fluoro-2-methylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 62791700
N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 62965809
N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine
CID 81153684
N-[naphthalen-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 62790514
N-[pyridin-2-yl(quinolin-5-yl)methyl]ethanamine
CID 81220016
N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine
CID 60889324

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol?
The IUPAC name of 2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol (CID 145259803) is 2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol.
What is the SMILES notation for 2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol?
The canonical SMILES for 2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol is Oc1ccccc1C(NCCN[C@@H](c1ccccn1)c1ccccc1O)c1ccccn1.
What is the InChIKey of 2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol?
The InChIKey is ANZTXMKFVRYSAN-DCWQJPKNSA-N. The full InChI is InChI=1S/C26H26N4O2/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/h1-16,25-26,29-32H,17-18H2/t25-,26?/m1/s1.
What are the key properties of 2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol?
2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol has a molecular weight of 426.52 g/mol, XLogP of 3.95, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol is sourced from PubChem (CID 145259803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).