2-amino-N-(5-bromo-2-pyridinyl)benzamide

C12H10BrN3O — CID 13348356

IUPAC2-amino-N-(5-bromo-2-pyridinyl)benzamide
SMILESNc1ccccc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C12H10BrN3O/c13-8-5-6-11(15-7-8)16-12(17)9-3-1-2-4-10(9)14/h1-7H,14H2,(H,15,16,17)
InChIKeyDOMKOSUNKXTRTG-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.68
Rot. Bonds2

About 2-amino-N-(5-bromo-2-pyridinyl)benzamide

2-amino-N-(5-bromo-2-pyridinyl)benzamide (PubChem CID 13348356) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-pyridinyl)benzamide
PubChem CID13348356
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name2-amino-N-(5-bromo-2-pyridinyl)benzamide
SMILESNc1ccccc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C12H10BrN3O/c13-8-5-6-11(15-7-8)16-12(17)9-3-1-2-4-10(9)14/h1-7H,14H2,(H,15,16,17)
InChIKeyDOMKOSUNKXTRTG-UHFFFAOYSA-N
XLogP2.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.68
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-(5-bromo-2-pyridinyl)-2-iodobenzamide
CID 17019973
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzamide
CID 28893277
2-acetamido-N-(5-bromo-2-pyridinyl)benzamide
CID 166872715
2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide
CID 28893236
N-(5-bromo-2-pyridinyl)-2-[(2-chlorobenzoyl)amino]benzamide
CID 1268365
5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide
CID 61092770
2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide
CID 81410023
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
N-(5-bromo-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide
CID 60655160
N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103617949
4-amino-N-(5-bromo-2-pyridinyl)-3-hydroxybenzamide
CID 107073952
4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-pyridinyl)benzamide?
The IUPAC name of 2-amino-N-(5-bromo-2-pyridinyl)benzamide (CID 13348356) is 2-amino-N-(5-bromo-2-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-pyridinyl)benzamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-pyridinyl)benzamide is Nc1ccccc1C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 2-amino-N-(5-bromo-2-pyridinyl)benzamide?
The InChIKey is DOMKOSUNKXTRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-8-5-6-11(15-7-8)16-12(17)9-3-1-2-4-10(9)14/h1-7H,14H2,(H,15,16,17).
What are the key properties of 2-amino-N-(5-bromo-2-pyridinyl)benzamide?
2-amino-N-(5-bromo-2-pyridinyl)benzamide has a molecular weight of 292.14 g/mol, XLogP of 2.68, 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)benzamide is sourced from PubChem (CID 13348356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).