5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide

C15H16BrN3O — CID 107571106

IUPAC5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(N)cnc2C)cc(C)c1Br
InChIInChI=1S/C15H16BrN3O/c1-8-4-12(5-9(2)14(8)16)19-15(20)13-6-11(17)7-18-10(13)3/h4-7H,17H2,1-3H3,(H,19,20)
InChIKeyBKZMVIYDUOGHQH-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.60
Rot. Bonds2

About 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide

5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide (PubChem CID 107571106) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide
PubChem CID107571106
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(N)cnc2C)cc(C)c1Br
InChIInChI=1S/C15H16BrN3O/c1-8-4-12(5-9(2)14(8)16)19-15(20)13-6-11(17)7-18-10(13)3/h4-7H,17H2,1-3H3,(H,19,20)
InChIKeyBKZMVIYDUOGHQH-UHFFFAOYSA-N
XLogP3.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide
CID 63332915
5-amino-N-(3,5-difluorophenyl)-2-methylpyridine-3-carboxamide
CID 54914274
5-amino-N-(4-fluoro-3-methylphenyl)-2-methylpyridine-3-carboxamide
CID 62811391
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylpyridine-3-carboxamide
CID 54914178
5-amino-2-methyl-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 61040068
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide
CID 107571074
5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide
CID 107571322
methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate
CID 61117590
5-amino-N-(2,5-dibromophenyl)-2-methylpyridine-3-carboxamide
CID 61466356
5-amino-N-(4-ethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 61040186
5-amino-2-methyl-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 54917395
3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide
CID 107571068

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide (CID 107571106) is 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide is Cc1cc(NC(=O)c2cc(N)cnc2C)cc(C)c1Br.
What is the InChIKey of 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide?
The InChIKey is BKZMVIYDUOGHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-8-4-12(5-9(2)14(8)16)19-15(20)13-6-11(17)7-18-10(13)3/h4-7H,17H2,1-3H3,(H,19,20).
What are the key properties of 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide?
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 107571106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).