3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide

C22H19N3O3 — CID 109055137

IUPAC3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(C(=O)NCc3cccnc3)c2)cc1
InChIInChI=1S/C22H19N3O3/c1-15(26)17-7-9-20(10-8-17)25-22(28)19-6-2-5-18(12-19)21(27)24-14-16-4-3-11-23-13-16/h2-13H,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyORDBIYYBRWOOJT-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.47
Rot. Bonds6

About 3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide

3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109055137) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109055137
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(C(=O)NCc3cccnc3)c2)cc1
InChIInChI=1S/C22H19N3O3/c1-15(26)17-7-9-20(10-8-17)25-22(28)19-6-2-5-18(12-19)21(27)24-14-16-4-3-11-23-13-16/h2-13H,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyORDBIYYBRWOOJT-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
2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087382
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
5-N-(4-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106035
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 117089751
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047684

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide (CID 109055137) is 3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide is CC(=O)c1ccc(NC(=O)c2cccc(C(=O)NCc3cccnc3)c2)cc1.
What is the InChIKey of 3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is ORDBIYYBRWOOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-15(26)17-7-9-20(10-8-17)25-22(28)19-6-2-5-18(12-19)21(27)24-14-16-4-3-11-23-13-16/h2-13H,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-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 3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).