5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide

C22H19N3O3 — CID 109105062

IUPAC5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cncc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C22H19N3O3/c1-15(26)17-8-5-9-20(11-17)25-22(28)19-10-18(13-23-14-19)21(27)24-12-16-6-3-2-4-7-16/h2-11,13-14H,12H2,1H3,(H,24,27)(H,25,28)
InChIKeyFKNQLYFBWMUCOV-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.47
Rot. Bonds6

About 5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide

5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide (PubChem CID 109105062) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
PubChem CID109105062
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cncc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C22H19N3O3/c1-15(26)17-8-5-9-20(11-17)25-22(28)19-10-18(13-23-14-19)21(27)24-12-16-6-3-2-4-7-16/h2-11,13-14H,12H2,1H3,(H,24,27)(H,25,28)
InChIKeyFKNQLYFBWMUCOV-UHFFFAOYSA-N
XLogP3.47
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065
3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide
CID 109105034
3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105029
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750
3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106794
3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055307
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
1-(3-acetylphenyl)-3-benzylthiourea
CID 839523
N-(3-acetylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63859581
3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide
CID 109105081
5-N-(4-acetylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106239
3-N-benzyl-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109105061

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide (CID 109105062) is 5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide is CC(=O)c1cccc(NC(=O)c2cncc(C(=O)NCc3ccccc3)c2)c1.
What is the InChIKey of 5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide?
The InChIKey is FKNQLYFBWMUCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-15(26)17-8-5-9-20(11-17)25-22(28)19-10-18(13-23-14-19)21(27)24-12-16-6-3-2-4-7-16/h2-11,13-14H,12H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide?
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).