6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide

C20H18BrN3O — CID 109162361

IUPAC6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)N(C)c3ccccc3)cn2)cc1Br
InChIInChI=1S/C20H18BrN3O/c1-14-8-10-16(12-18(14)21)23-19-11-9-15(13-22-19)20(25)24(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,22,23)
InChIKeyOBRGGNZYDTXPRU-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.17
Rot. Bonds4

About 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide

6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide (PubChem CID 109162361) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
PubChem CID109162361
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)N(C)c3ccccc3)cn2)cc1Br
InChIInChI=1S/C20H18BrN3O/c1-14-8-10-16(12-18(14)21)23-19-11-9-15(13-22-19)20(25)24(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,22,23)
InChIKeyOBRGGNZYDTXPRU-UHFFFAOYSA-N
XLogP5.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.29
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162356
6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162360
6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356459
6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153921
N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162369
2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265869
4-[[6-(3-bromo-4-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192965
N-benzyl-2-(3-bromo-4-methylanilino)pyrimidine-5-carboxamide
CID 109255309
3-bromo-4-methyl-N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17227949
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 79467031
N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113019263
methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290259

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide (CID 109162361) is 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide is Cc1ccc(Nc2ccc(C(=O)N(C)c3ccccc3)cn2)cc1Br.
What is the InChIKey of 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide?
The InChIKey is OBRGGNZYDTXPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14-8-10-16(12-18(14)21)23-19-11-9-15(13-22-19)20(25)24(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,22,23).
What are the key properties of 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide?
6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109162361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).