2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide

C22H21N3O4 — CID 6459085

IUPAC2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C22H21N3O4/c1-28-19-10-4-5-11-20(19)29-15-21(26)25-18-9-3-2-8-17(18)22(27)24-14-16-7-6-12-23-13-16/h2-13H,14-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyJIGMKZWUQVSVSB-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.04
Rot. Bonds8

About 2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide

2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 6459085) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID6459085
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C22H21N3O4/c1-28-19-10-4-5-11-20(19)29-15-21(26)25-18-9-3-2-8-17(18)22(27)24-14-16-7-6-12-23-13-16/h2-13H,14-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyJIGMKZWUQVSVSB-UHFFFAOYSA-N
XLogP3.04
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 6498921
2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 21173810
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100500766
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 119047422
2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 120565146
N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
CID 8651047
2-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 94016159
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 40696532

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide (CID 6459085) is 2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide is COc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is JIGMKZWUQVSVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-28-19-10-4-5-11-20(19)29-15-21(26)25-18-9-3-2-8-17(18)22(27)24-14-16-7-6-12-23-13-16/h2-13H,14-15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 391.43 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 6459085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).