2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide

C14H13BrFN3O — CID 107593919

IUPAC2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Br)c(F)cc2C)cc(N)n1
InChIInChI=1S/C14H13BrFN3O/c1-7-3-11(16)10(15)6-12(7)19-14(20)9-4-8(2)18-13(17)5-9/h3-6H,1-2H3,(H2,17,18)(H,19,20)
InChIKeyBJPLORCTZWXSBZ-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.43
Rot. Bonds2

About 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide

2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide (PubChem CID 107593919) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide
PubChem CID107593919
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC Name2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Br)c(F)cc2C)cc(N)n1
InChIInChI=1S/C14H13BrFN3O/c1-7-3-11(16)10(15)6-12(7)19-14(20)9-4-8(2)18-13(17)5-9/h3-6H,1-2H3,(H2,17,18)(H,19,20)
InChIKeyBJPLORCTZWXSBZ-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

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Related Compounds

3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107590868
3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide
CID 107592505
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
2-amino-6-methyl-N-(2-methylphenyl)pyridine-4-carboxamide
CID 113378981
2-amino-6-chloro-N-(2,5-difluoro-4-methylphenyl)pyridine-4-carboxamide
CID 103587247
N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 103274644
N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 104889817
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide
CID 106551752
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
CID 103274645
2-amino-N-(5-bromo-2-methylphenyl)-6-chloropyridine-4-carboxamide
CID 62159768
4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide
CID 102739332

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide (CID 107593919) is 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2cc(Br)c(F)cc2C)cc(N)n1.
What is the InChIKey of 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide?
The InChIKey is BJPLORCTZWXSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-7-3-11(16)10(15)6-12(7)19-14(20)9-4-8(2)18-13(17)5-9/h3-6H,1-2H3,(H2,17,18)(H,19,20).
What are the key properties of 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide?
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide 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 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 107593919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).