2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline

C20H20N4O2 — CID 6478590

IUPAC2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline
SMILESc1ccc(OC/N=N/COc2ccccc2NCc2cccnc2)cc1
InChIInChI=1S/C20H20N4O2/c1-2-8-18(9-3-1)25-15-23-24-16-26-20-11-5-4-10-19(20)22-14-17-7-6-12-21-13-17/h1-13,22H,14-16H2/b24-23+
InChIKeyZTCOQTCPUBRDBN-WCWDXBQESA-N
MW348.41 g/mol
LogP4.52
Rot. Bonds9

About 2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline

2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline (PubChem CID 6478590) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline
PubChem CID6478590
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline
SMILESc1ccc(OC/N=N/COc2ccccc2NCc2cccnc2)cc1
InChIInChI=1S/C20H20N4O2/c1-2-8-18(9-3-1)25-15-23-24-16-26-20-11-5-4-10-19(20)22-14-17-7-6-12-21-13-17/h1-13,22H,14-16H2/b24-23+
InChIKeyZTCOQTCPUBRDBN-WCWDXBQESA-N
XLogP4.52
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)aniline
CID 54864920
2-(pyridin-3-ylmethylamino)benzoic acid;dihydrochloride
CID 17059960
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline
CID 65024391
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077
[2-(pyridin-3-ylmethylamino)phenyl]methanol
CID 43743160
5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline
CID 83961735
4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860806
N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide
CID 87281732
N-(2-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191392
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide
CID 112983036

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline (CID 6478590) is 2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline is c1ccc(OC/N=N/COc2ccccc2NCc2cccnc2)cc1.
What is the InChIKey of 2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is ZTCOQTCPUBRDBN-WCWDXBQESA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-8-18(9-3-1)25-15-23-24-16-26-20-11-5-4-10-19(20)22-14-17-7-6-12-21-13-17/h1-13,22H,14-16H2/b24-23+.
What are the key properties of 2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline?
2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 348.41 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 6478590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).