3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol

C24H22N4O — CID 132520123

IUPAC3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol
SMILESOc1cccc(-c2cccc(CN(Cc3ccccn3)Cc3ccccn3)n2)c1
InChIInChI=1S/C24H22N4O/c29-23-11-5-7-19(15-23)24-12-6-10-22(27-24)18-28(16-20-8-1-3-13-25-20)17-21-9-2-4-14-26-21/h1-15,29H,16-18H2
InChIKeyXQBZAZZBPPJPAJ-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.45
Rot. Bonds7

About 3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol

3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol (PubChem CID 132520123) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol
PubChem CID132520123
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol
SMILESOc1cccc(-c2cccc(CN(Cc3ccccn3)Cc3ccccn3)n2)c1
InChIInChI=1S/C24H22N4O/c29-23-11-5-7-19(15-23)24-12-6-10-22(27-24)18-28(16-20-8-1-3-13-25-20)17-21-9-2-4-14-26-21/h1-15,29H,16-18H2
InChIKeyXQBZAZZBPPJPAJ-UHFFFAOYSA-N
XLogP4.45
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 57459973
N-[[6-[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 91221880
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
tert-butyl 2-[[6-[6-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]acetate
CID 23248044
N,N',N'-tris[(6-pyridin-2-yl-2-pyridinyl)methyl]-N-[(6-pyridin-3-yl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 59780170
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine
CID 44598597
1-[3-[[bis[(6-bromo-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 44598640
N-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 102314096
2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-naphthalen-2-ylphenol
CID 11388646
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513
2-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091036

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol?
The IUPAC name of 3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol (CID 132520123) is 3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol.
What is the SMILES notation for 3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol?
The canonical SMILES for 3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol is Oc1cccc(-c2cccc(CN(Cc3ccccn3)Cc3ccccn3)n2)c1.
What is the InChIKey of 3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol?
The InChIKey is XQBZAZZBPPJPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-23-11-5-7-19(15-23)24-12-6-10-22(27-24)18-28(16-20-8-1-3-13-25-20)17-21-9-2-4-14-26-21/h1-15,29H,16-18H2.
What are the key properties of 3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol?
3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol has a molecular weight of 382.47 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol is sourced from PubChem (CID 132520123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).