N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide

C20H16BrClN2O — CID 58639494

IUPACN-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(C)c(-c2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cn2)c1
InChIInChI=1S/C20H16BrClN2O/c1-12-3-4-13(2)16(9-12)19-8-5-14(11-23-19)20(25)24-15-6-7-17(21)18(22)10-15/h3-11H,1-2H3,(H,24,25)
InChIKeyMMBRMYAFRXGTJH-UHFFFAOYSA-N
MW415.72 g/mol
LogP6.03
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide

N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 58639494) has the molecular formula C20H16BrClN2O and a molecular weight of 415.72 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide
PubChem CID58639494
Molecular FormulaC20H16BrClN2O
Molecular Weight415.72 g/mol
Exact Mass414.01
IUPAC NameN-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(C)c(-c2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cn2)c1
InChIInChI=1S/C20H16BrClN2O/c1-12-3-4-13(2)16(9-12)19-8-5-14(11-23-19)20(25)24-15-6-7-17(21)18(22)10-15/h3-11H,1-2H3,(H,24,25)
InChIKeyMMBRMYAFRXGTJH-UHFFFAOYSA-N
XLogP6.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.72
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
CID 113278384
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107616648
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide
CID 58227030
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide
CID 107617517
4-bromo-N-(3-chloro-4-methylphenyl)-3-hydroxybenzamide
CID 103830447
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide
CID 70311383
6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 55036943

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide (CID 58639494) is N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide is Cc1ccc(C)c(-c2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cn2)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is MMBRMYAFRXGTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O/c1-12-3-4-13(2)16(9-12)19-8-5-14(11-23-19)20(25)24-15-6-7-17(21)18(22)10-15/h3-11H,1-2H3,(H,24,25).
What are the key properties of N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide?
N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 415.72 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 58639494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).