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

C14H14BrN3O — CID 106752400

IUPACN-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cc(Br)cc2N)ccn1
InChIInChI=1S/C14H14BrN3O/c1-8-5-11(15)7-12(16)13(8)18-14(19)10-3-4-17-9(2)6-10/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyNKMBVKDPIJJFIG-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.30
Rot. Bonds2

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

N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide (PubChem CID 106752400) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide
PubChem CID106752400
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cc(Br)cc2N)ccn1
InChIInChI=1S/C14H14BrN3O/c1-8-5-11(15)7-12(16)13(8)18-14(19)10-3-4-17-9(2)6-10/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyNKMBVKDPIJJFIG-UHFFFAOYSA-N
XLogP3.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.30
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-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide
CID 106752359
N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide
CID 43550039
N-(2-amino-4-bromo-6-methylphenyl)-5-bromopyridine-2-carboxamide
CID 55152866
N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide
CID 43550066
N-(2-amino-4-bromo-6-methylphenyl)-6-methylpyridine-2-carboxamide
CID 43550019
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79234917
4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
CID 104782360
N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide
CID 43550021
N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106753102
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 28991635
N-(2-amino-4-bromo-6-methylphenyl)-2-(4-bromophenyl)acetamide
CID 43550029
N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976343

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide (CID 106752400) is N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2c(C)cc(Br)cc2N)ccn1.
What is the InChIKey of N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide?
The InChIKey is NKMBVKDPIJJFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-8-5-11(15)7-12(16)13(8)18-14(19)10-3-4-17-9(2)6-10/h3-7H,16H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide?
N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106752400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).