4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide

C22H21N3O3 — CID 100500766

IUPAC4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1C
InChIInChI=1S/C22H21N3O3/c1-15-12-17(9-10-20(15)28-2)21(26)25-19-8-4-3-7-18(19)22(27)24-14-16-6-5-11-23-13-16/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyFOZVZJCHCLRFGR-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.58
Rot. Bonds6

About 4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide

4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 100500766) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID100500766
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1C
InChIInChI=1S/C22H21N3O3/c1-15-12-17(9-10-20(15)28-2)21(26)25-19-8-4-3-7-18(19)22(27)24-14-16-6-5-11-23-13-16/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyFOZVZJCHCLRFGR-UHFFFAOYSA-N
XLogP3.58
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
2-[(3-chlorobenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 6457396
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 6459085
2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 36524206
2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 6498921
2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride
CID 71429785
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002
2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100525900
3-N-(5-chloro-2-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055121
2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 40696532
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide (CID 100500766) is 4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is FOZVZJCHCLRFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-12-17(9-10-20(15)28-2)21(26)25-19-8-4-3-7-18(19)22(27)24-14-16-6-5-11-23-13-16/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide?
4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 375.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 100500766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).