N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide

C17H20BrN3O — CID 109195255

IUPACN-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NC(C)(C)C)cn2)c(Br)c1
InChIInChI=1S/C17H20BrN3O/c1-11-5-7-14(13(18)9-11)20-16(22)15-8-6-12(10-19-15)21-17(2,3)4/h5-10,21H,1-4H3,(H,20,22)
InChIKeyJZURSEFQXKXLNK-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.62
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide

N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide (PubChem CID 109195255) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide
PubChem CID109195255
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC NameN-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NC(C)(C)C)cn2)c(Br)c1
InChIInChI=1S/C17H20BrN3O/c1-11-5-7-14(13(18)9-11)20-16(22)15-8-6-12(10-19-15)21-17(2,3)4/h5-10,21H,1-4H3,(H,20,22)
InChIKeyJZURSEFQXKXLNK-UHFFFAOYSA-N
XLogP4.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109195188
5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109195211
N-(2-bromo-4-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640072
5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 107373934
N-(2,4-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639949
5-(tert-butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109195204
5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide
CID 109179204
5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195266
N-(2-fluoro-4-methylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639628
N-(2,5-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639934
5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109195203
N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide
CID 108506932

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide (CID 109195255) is N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(NC(C)(C)C)cn2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide?
The InChIKey is JZURSEFQXKXLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-11-5-7-14(13(18)9-11)20-16(22)15-8-6-12(10-19-15)21-17(2,3)4/h5-10,21H,1-4H3,(H,20,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide?
N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109195255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).