5-bromo-4-methyl-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-oxo-1H-pyridine-3-carboxamide

C22H18BrN3O3 — CID 166822654

IUPAC5-bromo-4-methyl-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccccc1C1NC(=O)c2cccc(NC(=O)c3c[nH]c(=O)c(Br)c3C)c21
InChIInChI=1S/C22H18BrN3O3/c1-11-6-3-4-7-13(11)19-17-14(20(27)26-19)8-5-9-16(17)25-21(28)15-10-24-22(29)18(23)12(15)2/h3-10,19H,1-2H3,(H,24,29)(H,25,28)(H,26,27)
InChIKeyHDGAXXMJJHXDLU-UHFFFAOYSA-N
MW452.31 g/mol
LogP3.84
Rot. Bonds3

About 5-bromo-4-methyl-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-oxo-1H-pyridine-3-carboxamide

5-bromo-4-methyl-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 166822654) has the molecular formula C22H18BrN3O3 and a molecular weight of 452.31 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID166822654
Molecular FormulaC22H18BrN3O3
Molecular Weight452.31 g/mol
Exact Mass451.05
IUPAC Name5-bromo-4-methyl-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccccc1C1NC(=O)c2cccc(NC(=O)c3c[nH]c(=O)c(Br)c3C)c21
InChIInChI=1S/C22H18BrN3O3/c1-11-6-3-4-7-13(11)19-17-14(20(27)26-19)8-5-9-16(17)25-21(28)15-10-24-22(29)18(23)12(15)2/h3-10,19H,1-2H3,(H,24,29)(H,25,28)(H,26,27)
InChIKeyHDGAXXMJJHXDLU-UHFFFAOYSA-N
XLogP3.84
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-fluoro-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]benzamide
CID 166821596
7-fluoro-N-[(3S)-3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-1-benzothiophene-3-carboxamide
CID 166821547
N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 176619907
3-fluoro-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-(oxetan-3-yl)benzamide
CID 176619596
N-[6-bromo-3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-1-benzothiophene-3-carboxamide
CID 166821569
5-chloro-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-1,2-benzoxazole-3-carboxamide
CID 176619299
N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 166821911
N-[3-(2-methylphenyl)-6-(oxetan-3-ylamino)-1-oxo-2,3-dihydroisoindol-4-yl]-1-benzothiophene-3-carboxamide
CID 166821536
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide
CID 84558594
N-[3-(2-methylphenyl)-6-(1-methylpyrazol-4-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-1-benzothiophene-3-carboxamide
CID 166821557
N-[7-ethenyl-3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-1-benzothiophene-3-carboxamide
CID 166822742
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 166822654) is 5-bromo-4-methyl-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-oxo-1H-pyridine-3-carboxamide is Cc1ccccc1C1NC(=O)c2cccc(NC(=O)c3c[nH]c(=O)c(Br)c3C)c21.
What is the InChIKey of 5-bromo-4-methyl-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HDGAXXMJJHXDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O3/c1-11-6-3-4-7-13(11)19-17-14(20(27)26-19)8-5-9-16(17)25-21(28)15-10-24-22(29)18(23)12(15)2/h3-10,19H,1-2H3,(H,24,29)(H,25,28)(H,26,27).
What are the key properties of 5-bromo-4-methyl-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
5-bromo-4-methyl-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 452.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166822654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).