2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide

C21H16ClN3O3 — CID 109100836

IUPAC2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C21H16ClN3O3/c1-13(26)14-5-2-7-16(11-14)23-20(27)18-9-4-10-19(25-18)21(28)24-17-8-3-6-15(22)12-17/h2-12H,1H3,(H,23,27)(H,24,28)
InChIKeyYXOVLSPOMJPMDG-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.44
Rot. Bonds5

About 2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide

2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide (PubChem CID 109100836) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
PubChem CID109100836
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Name2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C21H16ClN3O3/c1-13(26)14-5-2-7-16(11-14)23-20(27)18-9-4-10-19(25-18)21(28)24-17-8-3-6-15(22)12-17/h2-12H,1H3,(H,23,27)(H,24,28)
InChIKeyYXOVLSPOMJPMDG-UHFFFAOYSA-N
XLogP4.44
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100856
2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101017
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
CID 109268784
2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095376
6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109099391
propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate
CID 5042562
N-(3-acetylphenyl)-2-(4-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109337269
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
N-(3-acetylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224356
2-N-(3-chlorophenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093921

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide (CID 109100836) is 2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide is CC(=O)c1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)n2)c1.
What is the InChIKey of 2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide?
The InChIKey is YXOVLSPOMJPMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c1-13(26)14-5-2-7-16(11-14)23-20(27)18-9-4-10-19(25-18)21(28)24-17-8-3-6-15(22)12-17/h2-12H,1H3,(H,23,27)(H,24,28).
What are the key properties of 2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide?
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide has a molecular weight of 393.83 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109100836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).