N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide

C14H14BrN3O — CID 116813683

IUPACN-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2c(N)cc(C)cc2Br)c1
InChIInChI=1S/C14H14BrN3O/c1-8-4-11(15)13(12(16)5-8)18-14(19)10-3-9(2)6-17-7-10/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyNNSGUPWSKXKOOK-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.30
Rot. Bonds2

About N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide

N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide (PubChem CID 116813683) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide
PubChem CID116813683
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2c(N)cc(C)cc2Br)c1
InChIInChI=1S/C14H14BrN3O/c1-8-4-11(15)13(12(16)5-8)18-14(19)10-3-9(2)6-17-7-10/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyNNSGUPWSKXKOOK-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-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 116813556
N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 116813489
N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 116813696
N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide
CID 116813686
N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
CID 116813509
N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116813681
N-(2-amino-4,6-dimethylphenyl)pyridine-3-carboxamide
CID 56773226
N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide
CID 75496322
N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide
CID 116813642
N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 116813418
N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 116813658
5-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 143173797

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide (CID 116813683) is N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)Nc2c(N)cc(C)cc2Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide?
The InChIKey is NNSGUPWSKXKOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-8-4-11(15)13(12(16)5-8)18-14(19)10-3-9(2)6-17-7-10/h3-7H,16H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide?
N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-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-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 116813683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).