N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide

C20H18BrN3O — CID 113021535

IUPACN-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccc(Br)c(C)c3)nc2)cc1
InChIInChI=1S/C20H18BrN3O/c1-13-3-5-15(6-4-13)20(25)24-17-8-10-19(22-12-17)23-16-7-9-18(21)14(2)11-16/h3-12H,1-2H3,(H,22,23)(H,24,25)
InChIKeyNDOZRHYAISQSAA-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.46
Rot. Bonds4

About N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide

N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide (PubChem CID 113021535) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide
PubChem CID113021535
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccc(Br)c(C)c3)nc2)cc1
InChIInChI=1S/C20H18BrN3O/c1-13-3-5-15(6-4-13)20(25)24-17-8-10-19(22-12-17)23-16-7-9-18(21)14(2)11-16/h3-12H,1-2H3,(H,22,23)(H,24,25)
InChIKeyNDOZRHYAISQSAA-UHFFFAOYSA-N
XLogP5.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.29
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017060
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327362
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]-4-methylbenzamide
CID 113021649
4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750
4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 113338779
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
N-[6-(2-bromo-4-methylanilino)-3-pyridinyl]-3-methylbenzamide
CID 113021470
4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021054
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017659
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide (CID 113021535) is N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Nc3ccc(Br)c(C)c3)nc2)cc1.
What is the InChIKey of N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide?
The InChIKey is NDOZRHYAISQSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-13-3-5-15(6-4-13)20(25)24-17-8-10-19(22-12-17)23-16-7-9-18(21)14(2)11-16/h3-12H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide?
N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide has a molecular weight of 396.29 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 113021535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).