N-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide

C23H23N3O2 — CID 46991790

IUPACN-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccccc1NC(=O)CCc1cccnc1
InChIInChI=1S/C23H23N3O2/c1-16-7-5-8-17(2)22(16)26-23(28)19-10-3-4-11-20(19)25-21(27)13-12-18-9-6-14-24-15-18/h3-11,14-15H,12-13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyDNKVOFHEWHJGHF-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.52
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide

N-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide (PubChem CID 46991790) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide
PubChem CID46991790
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccccc1NC(=O)CCc1cccnc1
InChIInChI=1S/C23H23N3O2/c1-16-7-5-8-17(2)22(16)26-23(28)19-10-3-4-11-20(19)25-21(27)13-12-18-9-6-14-24-15-18/h3-11,14-15H,12-13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyDNKVOFHEWHJGHF-UHFFFAOYSA-N
XLogP4.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 34754830
methyl 2-hydroxy-3-(3-pyridin-3-ylpropanoylamino)benzoate
CID 56784435
5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid
CID 43359065
N-(2,3-dichlorophenyl)-3-pyridin-3-ylpropanamide
CID 112519927
N-(5-fluoro-2-methylphenyl)-3-pyridin-3-ylpropanamide
CID 9208566
N-(2-cyanophenyl)-3-pyridin-3-ylpropanamide
CID 110864606
N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 86830197
2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 120565146
2-(pentanoylamino)-N-pyridin-3-ylbenzamide
CID 30336770
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 30583465
N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 108925345

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide (CID 46991790) is N-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide is Cc1cccc(C)c1NC(=O)c1ccccc1NC(=O)CCc1cccnc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide?
The InChIKey is DNKVOFHEWHJGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-7-5-8-17(2)22(16)26-23(28)19-10-3-4-11-20(19)25-21(27)13-12-18-9-6-14-24-15-18/h3-11,14-15H,12-13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide?
N-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide has a molecular weight of 373.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide is sourced from PubChem (CID 46991790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).