2-(2-benzyl-3-hydroxyisoindol-1-yl)oxy-N-pyridin-2-ylacetamide

C22H19N3O3 — CID 91300907

IUPAC2-(2-benzyl-3-hydroxyisoindol-1-yl)oxy-N-pyridin-2-ylacetamide
SMILESO=C(COc1c2ccccc2c(O)n1Cc1ccccc1)Nc1ccccn1
InChIInChI=1S/C22H19N3O3/c26-20(24-19-12-6-7-13-23-19)15-28-22-18-11-5-4-10-17(18)21(27)25(22)14-16-8-2-1-3-9-16/h1-13,27H,14-15H2,(H,23,24,26)
InChIKeyBCTWKBGIVZCLAB-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.81
Rot. Bonds6

About 2-(2-benzyl-3-hydroxyisoindol-1-yl)oxy-N-pyridin-2-ylacetamide

2-(2-benzyl-3-hydroxyisoindol-1-yl)oxy-N-pyridin-2-ylacetamide (PubChem CID 91300907) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(2-benzyl-3-hydroxyisoindol-1-yl)oxy-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(2-benzyl-3-hydroxyisoindol-1-yl)oxy-N-pyridin-2-ylacetamide
PubChem CID91300907
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-(2-benzyl-3-hydroxyisoindol-1-yl)oxy-N-pyridin-2-ylacetamide
SMILESO=C(COc1c2ccccc2c(O)n1Cc1ccccc1)Nc1ccccn1
InChIInChI=1S/C22H19N3O3/c26-20(24-19-12-6-7-13-23-19)15-28-22-18-11-5-4-10-17(18)21(27)25(22)14-16-8-2-1-3-9-16/h1-13,27H,14-15H2,(H,23,24,26)
InChIKeyBCTWKBGIVZCLAB-UHFFFAOYSA-N
XLogP3.81
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-oxo-2-(pyridin-2-ylamino)ethoxy]acetic acid
CID 2737830
N-pyridin-2-yl-2-pyridin-3-yloxyacetamide
CID 110487862
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2-[2-[[4-(dimethylamino)phenyl]methyl]-7-fluoro-3-hydroxyisoindol-1-yl]sulfanyl-N-pyridin-2-ylacetamide
CID 91062978
2-(2-ethylphenoxy)-N-pyridin-2-ylacetamide
CID 47111739
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
2-(2,4-dichloro-6-methylphenoxy)-N-pyridin-2-ylacetamide
CID 2892737
2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316019
2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide
CID 53063672
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide
CID 44999265
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-3-hydroxyisoindol-1-yl)oxy-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(2-benzyl-3-hydroxyisoindol-1-yl)oxy-N-pyridin-2-ylacetamide (CID 91300907) is 2-(2-benzyl-3-hydroxyisoindol-1-yl)oxy-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(2-benzyl-3-hydroxyisoindol-1-yl)oxy-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(2-benzyl-3-hydroxyisoindol-1-yl)oxy-N-pyridin-2-ylacetamide is O=C(COc1c2ccccc2c(O)n1Cc1ccccc1)Nc1ccccn1.
What is the InChIKey of 2-(2-benzyl-3-hydroxyisoindol-1-yl)oxy-N-pyridin-2-ylacetamide?
The InChIKey is BCTWKBGIVZCLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-20(24-19-12-6-7-13-23-19)15-28-22-18-11-5-4-10-17(18)21(27)25(22)14-16-8-2-1-3-9-16/h1-13,27H,14-15H2,(H,23,24,26).
What are the key properties of 2-(2-benzyl-3-hydroxyisoindol-1-yl)oxy-N-pyridin-2-ylacetamide?
2-(2-benzyl-3-hydroxyisoindol-1-yl)oxy-N-pyridin-2-ylacetamide has a molecular weight of 373.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-3-hydroxyisoindol-1-yl)oxy-N-pyridin-2-ylacetamide is sourced from PubChem (CID 91300907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).