2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide

C13H12BrN3O — CID 79713450

IUPAC2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C13H12BrN3O/c1-8-12(3-2-6-16-8)17-13(18)10-5-4-9(14)7-11(10)15/h2-7H,15H2,1H3,(H,17,18)
InChIKeyQFBHFDGGRBPVAL-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.99
Rot. Bonds2

About 2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide

2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide (PubChem CID 79713450) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide
PubChem CID79713450
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C13H12BrN3O/c1-8-12(3-2-6-16-8)17-13(18)10-5-4-9(14)7-11(10)15/h2-7H,15H2,1H3,(H,17,18)
InChIKeyQFBHFDGGRBPVAL-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

5-bromo-2-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103715623
2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 79044111
3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 113367036
2-[(2-amino-4-bromobenzoyl)amino]benzoic acid
CID 79721511
2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide
CID 79714001
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-3-carboxamide
CID 107800715
2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
CID 82757217
4-hydrazinyl-2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 113400337
2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 79721735
2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide
CID 14209972
3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide
CID 79042253
2-amino-4-bromo-N-(4-hydroxy-2-methylphenyl)benzamide
CID 79723167

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide (CID 79713450) is 2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide is Cc1ncccc1NC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide?
The InChIKey is QFBHFDGGRBPVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-12(3-2-6-16-8)17-13(18)10-5-4-9(14)7-11(10)15/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide?
2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide 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-4-bromo-N-(2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 79713450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).