3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide

C14H13Br2N3O — CID 107872932

IUPAC3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide
SMILESCc1cc(NC(=O)c2cc(Br)cc(N)c2C)ncc1Br
InChIInChI=1S/C14H13Br2N3O/c1-7-3-13(18-6-11(7)16)19-14(20)10-4-9(15)5-12(17)8(10)2/h3-6H,17H2,1-2H3,(H,18,19,20)
InChIKeyCCEJMGPGFDIZPL-UHFFFAOYSA-N
MW399.09 g/mol
LogP4.06
Rot. Bonds2

About 3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide

3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide (PubChem CID 107872932) has the molecular formula C14H13Br2N3O and a molecular weight of 399.09 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide
PubChem CID107872932
Molecular FormulaC14H13Br2N3O
Molecular Weight399.09 g/mol
Exact Mass396.94
IUPAC Name3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide
SMILESCc1cc(NC(=O)c2cc(Br)cc(N)c2C)ncc1Br
InChIInChI=1S/C14H13Br2N3O/c1-7-3-13(18-6-11(7)16)19-14(20)10-4-9(15)5-12(17)8(10)2/h3-6H,17H2,1-2H3,(H,18,19,20)
InChIKeyCCEJMGPGFDIZPL-UHFFFAOYSA-N
XLogP4.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.09
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-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

3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide
CID 107872270
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
CID 79734210
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 79734498
N-(5-bromo-4-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548436
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 113339789
N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245636
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
CID 107096916
3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide
CID 107872119
3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide
CID 107872101
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 107872047
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide (CID 107872932) is 3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide is Cc1cc(NC(=O)c2cc(Br)cc(N)c2C)ncc1Br.
What is the InChIKey of 3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide?
The InChIKey is CCEJMGPGFDIZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N3O/c1-7-3-13(18-6-11(7)16)19-14(20)10-4-9(15)5-12(17)8(10)2/h3-6H,17H2,1-2H3,(H,18,19,20).
What are the key properties of 3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide?
3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide has a molecular weight of 399.09 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide is sourced from PubChem (CID 107872932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).