6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide

C22H21BrN2O3 — CID 27286760

IUPAC6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)cc1OC
InChIInChI=1S/C22H21BrN2O3/c1-13-10-20(27-3)21(28-4)12-19(13)25-22(26)17-8-9-18(24-14(17)2)15-6-5-7-16(23)11-15/h5-12H,1-4H3,(H,25,26)
InChIKeyXJIUUVSCQROQBV-UHFFFAOYSA-N
MW441.33 g/mol
LogP5.40
Rot. Bonds5

About 6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide

6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide (PubChem CID 27286760) has the molecular formula C22H21BrN2O3 and a molecular weight of 441.33 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide
PubChem CID27286760
Molecular FormulaC22H21BrN2O3
Molecular Weight441.33 g/mol
Exact Mass440.07
IUPAC Name6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)cc1OC
InChIInChI=1S/C22H21BrN2O3/c1-13-10-20(27-3)21(28-4)12-19(13)25-22(26)17-8-9-18(24-14(17)2)15-6-5-7-16(23)11-15/h5-12H,1-4H3,(H,25,26)
InChIKeyXJIUUVSCQROQBV-UHFFFAOYSA-N
XLogP5.40
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.33
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 27285916
6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
CID 30796992
6-(3-bromophenyl)-N-(2,5-difluorophenyl)-2-methylpyridine-3-carboxamide
CID 27005490
6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 27017500
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 110887368
N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 27649715
6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 46480790
6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide
CID 27018737
6-(3-bromophenyl)-N-[2-(dimethylamino)-3-methylbutyl]-2-methylpyridine-3-carboxamide
CID 43066460
6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide
CID 30751977
N-(3-methoxyphenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 17498937

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide (CID 27286760) is 6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide is COc1cc(C)c(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)cc1OC.
What is the InChIKey of 6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide?
The InChIKey is XJIUUVSCQROQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3/c1-13-10-20(27-3)21(28-4)12-19(13)25-22(26)17-8-9-18(24-14(17)2)15-6-5-7-16(23)11-15/h5-12H,1-4H3,(H,25,26).
What are the key properties of 6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide?
6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide has a molecular weight of 441.33 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 27286760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).