N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide

C15H16BrN3O — CID 50880485

IUPACN-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide
SMILESCCc1cc(N)cc(C)c1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C15H16BrN3O/c1-3-10-6-13(17)4-9(2)14(10)19-15(20)11-5-12(16)8-18-7-11/h4-8H,3,17H2,1-2H3,(H,19,20)
InChIKeyGOGRAYUJSYIYKH-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.55
Rot. Bonds3

About N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide

N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide (PubChem CID 50880485) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide
PubChem CID50880485
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide
SMILESCCc1cc(N)cc(C)c1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C15H16BrN3O/c1-3-10-6-13(17)4-9(2)14(10)19-15(20)11-5-12(16)8-18-7-11/h4-8H,3,17H2,1-2H3,(H,19,20)
InChIKeyGOGRAYUJSYIYKH-UHFFFAOYSA-N
XLogP3.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide
CID 50880400
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 107574886
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
CID 50880299
5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide
CID 122150353
5-bromo-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 29367937
N-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 50879810
5-bromo-N-methoxypyridine-3-carboxamide
CID 51279281
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
CID 3136484
diethyl 2-[(5-bromopyridine-3-carbonyl)amino]propanedioate
CID 33240132
5-bromo-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 82889340
5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 47423228

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide?
The IUPAC name of N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide (CID 50880485) is N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide is CCc1cc(N)cc(C)c1NC(=O)c1cncc(Br)c1.
What is the InChIKey of N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide?
The InChIKey is GOGRAYUJSYIYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-3-10-6-13(17)4-9(2)14(10)19-15(20)11-5-12(16)8-18-7-11/h4-8H,3,17H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide?
N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 50880485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).