2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide

C22H21N3O4 — CID 55783848

IUPAC2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)c1
InChIInChI=1S/C22H21N3O4/c1-28-18-9-10-20(29-2)19(13-18)22(27)25-16-8-5-6-15(12-16)21(26)24-14-17-7-3-4-11-23-17/h3-13H,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyZDSMUDKHTRNXQE-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.28
Rot. Bonds7

About 2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide

2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 55783848) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID55783848
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)c1
InChIInChI=1S/C22H21N3O4/c1-28-18-9-10-20(29-2)19(13-18)22(27)25-16-8-5-6-15(12-16)21(26)24-14-17-7-3-4-11-23-17/h3-13H,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyZDSMUDKHTRNXQE-UHFFFAOYSA-N
XLogP3.28
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964259
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964388
5-acetamido-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110764476
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 55783941
3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide
CID 101015453
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054965
3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 55783619
2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 60555105
2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783783

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide (CID 55783848) is 2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide is COc1ccc(OC)c(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is ZDSMUDKHTRNXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-28-18-9-10-20(29-2)19(13-18)22(27)25-16-8-5-6-15(12-16)21(26)24-14-17-7-3-4-11-23-17/h3-13H,14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 391.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55783848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).