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

C13H11BrFN3O — CID 107948807

IUPACN-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2cccc(Br)c2F)ncc1N
InChIInChI=1S/C13H11BrFN3O/c1-7-5-11(17-6-10(7)16)18-13(19)8-3-2-4-9(14)12(8)15/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyDYEIIPXUEDFKME-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.13
Rot. Bonds2

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

N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide (PubChem CID 107948807) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide
PubChem CID107948807
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC NameN-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2cccc(Br)c2F)ncc1N
InChIInChI=1S/C13H11BrFN3O/c1-7-5-11(17-6-10(7)16)18-13(19)8-3-2-4-9(14)12(8)15/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyDYEIIPXUEDFKME-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide
CID 107948735
N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide
CID 61292962
N-(5-amino-4-methyl-2-pyridinyl)-5-chloro-2-fluorobenzamide
CID 61292772
3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
CID 106547581
N-(5-amino-4-methyl-2-pyridinyl)-2-fluoro-4-hydroxybenzamide
CID 107674528
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 113339789
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 106547271
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
N-(5-amino-4-methyl-2-pyridinyl)acetamide
CID 22063573
3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 106543986
N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81481979

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide?
The IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide (CID 107948807) is N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide?
The canonical SMILES for N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide is Cc1cc(NC(=O)c2cccc(Br)c2F)ncc1N.
What is the InChIKey of N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide?
The InChIKey is DYEIIPXUEDFKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c1-7-5-11(17-6-10(7)16)18-13(19)8-3-2-4-9(14)12(8)15/h2-6H,16H2,1H3,(H,17,18,19).
What are the key properties of N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide?
N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide has a molecular weight of 324.15 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide is sourced from PubChem (CID 107948807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).