N-(5-amino-2-pyridinyl)-3-bromobenzamide

C12H10BrN3O — CID 43144581

IUPACN-(5-amino-2-pyridinyl)-3-bromobenzamide
SMILESNc1ccc(NC(=O)c2cccc(Br)c2)nc1
InChIInChI=1S/C12H10BrN3O/c13-9-3-1-2-8(6-9)12(17)16-11-5-4-10(14)7-15-11/h1-7H,14H2,(H,15,16,17)
InChIKeyLNHIUUBKUWLZMN-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.68
Rot. Bonds2

About N-(5-amino-2-pyridinyl)-3-bromobenzamide

N-(5-amino-2-pyridinyl)-3-bromobenzamide (PubChem CID 43144581) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-3-bromobenzamide
PubChem CID43144581
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC NameN-(5-amino-2-pyridinyl)-3-bromobenzamide
SMILESNc1ccc(NC(=O)c2cccc(Br)c2)nc1
InChIInChI=1S/C12H10BrN3O/c13-9-3-1-2-8(6-9)12(17)16-11-5-4-10(14)7-15-11/h1-7H,14H2,(H,15,16,17)
InChIKeyLNHIUUBKUWLZMN-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

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Related Compounds

3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 52886230
N-(5-amino-2-pyridinyl)-3-iodobenzamide
CID 43144556
N-(5-amino-2-pyridinyl)benzamide;methane
CID 158297207
N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide
CID 115273748
N-(5-amino-2-pyridinyl)-3,4-dimethoxybenzamide
CID 43144619
N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide
CID 107948735
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
3-bromo-N-(2-methyltriazol-4-yl)benzamide
CID 112535280
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832
N-(5-amino-2-pyridinyl)-5-fluoropyridine-3-carboxamide
CID 104785368
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713
3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide
CID 113044253

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-3-bromobenzamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-3-bromobenzamide (CID 43144581) is N-(5-amino-2-pyridinyl)-3-bromobenzamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-3-bromobenzamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-3-bromobenzamide is Nc1ccc(NC(=O)c2cccc(Br)c2)nc1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-3-bromobenzamide?
The InChIKey is LNHIUUBKUWLZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-9-3-1-2-8(6-9)12(17)16-11-5-4-10(14)7-15-11/h1-7H,14H2,(H,15,16,17).
What are the key properties of N-(5-amino-2-pyridinyl)-3-bromobenzamide?
N-(5-amino-2-pyridinyl)-3-bromobenzamide 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 N-(5-amino-2-pyridinyl)-3-bromobenzamide is sourced from PubChem (CID 43144581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).