2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide

C13H12BrN3O — CID 28893236

IUPAC2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H12BrN3O/c1-8-3-2-4-10(15)12(8)13(18)17-11-6-5-9(14)7-16-11/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyQFZJGIYZEUXHEZ-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.99
Rot. Bonds2

About 2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide

2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide (PubChem CID 28893236) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide
PubChem CID28893236
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H12BrN3O/c1-8-3-2-4-10(15)12(8)13(18)17-11-6-5-9(14)7-16-11/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyQFZJGIYZEUXHEZ-UHFFFAOYSA-N
XLogP2.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.99
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

2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide
CID 81410023
2-amino-N-(5-bromo-2-pyridinyl)benzamide
CID 13348356
N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103617949
2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819390
N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide
CID 115274010
N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
N-(5-bromo-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 62238936
2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide
CID 16781523
N-(5-bromo-2-pyridinyl)-5-methylthiophene-3-carboxamide
CID 17218099
N-(5-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 103956611
4-amino-N-(5-bromo-2-pyridinyl)-3-hydroxybenzamide
CID 107073952
5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide
CID 61092770

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide?
The IUPAC name of 2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide (CID 28893236) is 2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide is Cc1cccc(N)c1C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide?
The InChIKey is QFZJGIYZEUXHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-3-2-4-10(15)12(8)13(18)17-11-6-5-9(14)7-16-11/h2-7H,15H2,1H3,(H,16,17,18).
What are the key properties of 2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide?
2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide has a molecular weight of 306.16 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide is sourced from PubChem (CID 28893236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).