6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide

C21H19BrN2O3 — CID 27285916

IUPAC6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)c1
InChIInChI=1S/C21H19BrN2O3/c1-13-17(8-9-18(23-13)14-5-4-6-15(22)11-14)21(25)24-19-12-16(26-2)7-10-20(19)27-3/h4-12H,1-3H3,(H,24,25)
InChIKeyQNZVWABPXOZVLZ-UHFFFAOYSA-N
MW427.30 g/mol
LogP5.09
Rot. Bonds5

About 6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide

6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide (PubChem CID 27285916) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide
PubChem CID27285916
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC Name6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)c1
InChIInChI=1S/C21H19BrN2O3/c1-13-17(8-9-18(23-13)14-5-4-6-15(22)11-14)21(25)24-19-12-16(26-2)7-10-20(19)27-3/h4-12H,1-3H3,(H,24,25)
InChIKeyQNZVWABPXOZVLZ-UHFFFAOYSA-N
XLogP5.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.30
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 27286760
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
N-(3-methoxyphenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 17498937
4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 55883648
N-(2,5-dimethoxyphenyl)-6-methylpyridine-2-carboxamide
CID 31808969
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
5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide
CID 1369979
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

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide (CID 27285916) is 6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)c1.
What is the InChIKey of 6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide?
The InChIKey is QNZVWABPXOZVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3/c1-13-17(8-9-18(23-13)14-5-4-6-15(22)11-14)21(25)24-19-12-16(26-2)7-10-20(19)27-3/h4-12H,1-3H3,(H,24,25).
What are the key properties of 6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide?
6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 5.09, 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-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 27285916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).