5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide

C14H13BrFN3O — CID 103296614

IUPAC5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2ccc(Br)c(C)n2)c1F
InChIInChI=1S/C14H13BrFN3O/c1-7-5-9(17)6-10(13(7)16)14(20)19-12-4-3-11(15)8(2)18-12/h3-6H,17H2,1-2H3,(H,18,19,20)
InChIKeyZNHSCSJQNMACFD-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.43
Rot. Bonds2

About 5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide

5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide (PubChem CID 103296614) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is 5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
PubChem CID103296614
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC Name5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2ccc(Br)c(C)n2)c1F
InChIInChI=1S/C14H13BrFN3O/c1-7-5-9(17)6-10(13(7)16)14(20)19-12-4-3-11(15)8(2)18-12/h3-6H,17H2,1-2H3,(H,18,19,20)
InChIKeyZNHSCSJQNMACFD-UHFFFAOYSA-N
XLogP3.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-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-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 79041376
5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 103296247
5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 103296420
N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
CID 79048667
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 103295840
5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 103296580
5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 103295994
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296055
N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 25239366
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-chloropyridine-4-carboxamide
CID 114923983
6-amino-N-(5-bromo-6-methyl-2-pyridinyl)pyridazine-3-carboxamide
CID 79049219
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 79048356

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide (CID 103296614) is 5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide is Cc1cc(N)cc(C(=O)Nc2ccc(Br)c(C)n2)c1F.
What is the InChIKey of 5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide?
The InChIKey is ZNHSCSJQNMACFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-7-5-9(17)6-10(13(7)16)14(20)19-12-4-3-11(15)8(2)18-12/h3-6H,17H2,1-2H3,(H,18,19,20).
What are the key properties of 5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide?
5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide has a molecular weight of 338.18 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103296614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).