6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide

C20H17BrN2O — CID 39428114

IUPAC6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C20H17BrN2O/c1-14-18(20(24)23(2)17-9-4-3-5-10-17)11-12-19(22-14)15-7-6-8-16(21)13-15/h3-13H,1-2H3
InChIKeyFEFGNXQIDSBRLT-UHFFFAOYSA-N
MW381.27 g/mol
LogP5.10
Rot. Bonds3

About 6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide

6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide (PubChem CID 39428114) has the molecular formula C20H17BrN2O and a molecular weight of 381.27 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide
PubChem CID39428114
Molecular FormulaC20H17BrN2O
Molecular Weight381.27 g/mol
Exact Mass380.05
IUPAC Name6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C20H17BrN2O/c1-14-18(20(24)23(2)17-9-4-3-5-10-17)11-12-19(22-14)15-7-6-8-16(21)13-15/h3-13H,1-2H3
InChIKeyFEFGNXQIDSBRLT-UHFFFAOYSA-N
XLogP5.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.27
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
6-(3-bromophenyl)-N-[2-(dimethylamino)-3-methylbutyl]-2-methylpyridine-3-carboxamide
CID 43066460
6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
CID 30796992
N,2-dimethyl-N-phenyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 39428121
6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
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6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 55590657
6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 43042066
6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 110887368
6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide
CID 27018737
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 55726267
N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 27649715
2,4-dibromo-N-methyl-N-(3-methylphenyl)benzamide
CID 107952311

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide (CID 39428114) is 6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N(C)c1ccccc1.
What is the InChIKey of 6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide?
The InChIKey is FEFGNXQIDSBRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O/c1-14-18(20(24)23(2)17-9-4-3-5-10-17)11-12-19(22-14)15-7-6-8-16(21)13-15/h3-13H,1-2H3.
What are the key properties of 6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide?
6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide has a molecular weight of 381.27 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 39428114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).