3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4-dihydroxybenzaldehyde

C20H19N3O3 — CID 102492762

IUPAC3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4-dihydroxybenzaldehyde
SMILESO=Cc1ccc(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1O
InChIInChI=1S/C20H19N3O3/c24-14-15-7-8-19(25)18(20(15)26)13-23(11-16-5-1-3-9-21-16)12-17-6-2-4-10-22-17/h1-10,14,25-26H,11-13H2
InChIKeyVCGJYYIZYLMKJN-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.90
Rot. Bonds7

About 3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4-dihydroxybenzaldehyde

3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4-dihydroxybenzaldehyde (PubChem CID 102492762) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4-dihydroxybenzaldehyde.

Molecular Properties

Compound Name3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4-dihydroxybenzaldehyde
PubChem CID102492762
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4-dihydroxybenzaldehyde
SMILESO=Cc1ccc(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1O
InChIInChI=1S/C20H19N3O3/c24-14-15-7-8-19(25)18(20(15)26)13-23(11-16-5-1-3-9-21-16)12-17-6-2-4-10-22-17/h1-10,14,25-26H,11-13H2
InChIKeyVCGJYYIZYLMKJN-UHFFFAOYSA-N
XLogP2.90
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 15846287
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-6-methylphenol
CID 169201495
4-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]diazenyl]benzoic acid
CID 136672894
osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 171575278
2-[[(2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;bis(oxygen(2-));tungsten
CID 139162848
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513
2-[[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15845106
tris(acetonitrile);lutetium(3+);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);triiodide
CID 139129489
2-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-hydroxy-5-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
CID 91238369
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901

Frequently Asked Questions

What is the IUPAC name of 3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4-dihydroxybenzaldehyde?
The IUPAC name of 3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4-dihydroxybenzaldehyde (CID 102492762) is 3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4-dihydroxybenzaldehyde.
What is the SMILES notation for 3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4-dihydroxybenzaldehyde?
The canonical SMILES for 3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4-dihydroxybenzaldehyde is O=Cc1ccc(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1O.
What is the InChIKey of 3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4-dihydroxybenzaldehyde?
The InChIKey is VCGJYYIZYLMKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-14-15-7-8-19(25)18(20(15)26)13-23(11-16-5-1-3-9-21-16)12-17-6-2-4-10-22-17/h1-10,14,25-26H,11-13H2.
What are the key properties of 3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4-dihydroxybenzaldehyde?
3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4-dihydroxybenzaldehyde has a molecular weight of 349.39 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4-dihydroxybenzaldehyde is sourced from PubChem (CID 102492762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).