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

C13H12BrN3O — CID 113367036

IUPAC3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1cccc(N)c1Br
InChIInChI=1S/C13H12BrN3O/c1-8-11(6-3-7-16-8)17-13(18)9-4-2-5-10(15)12(9)14/h2-7H,15H2,1H3,(H,17,18)
InChIKeyOQBJIVKOSRBKKH-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.99
Rot. Bonds2

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

3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide (PubChem CID 113367036) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide
PubChem CID113367036
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1cccc(N)c1Br
InChIInChI=1S/C13H12BrN3O/c1-8-11(6-3-7-16-8)17-13(18)9-4-2-5-10(15)12(9)14/h2-7H,15H2,1H3,(H,17,18)
InChIKeyOQBJIVKOSRBKKH-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-4-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 79713450
3-hydroxy-2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 82829673
2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 71985815
2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 79044111
3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide
CID 79042253
3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 104725747
5-bromo-2-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103715623
2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 104870910
4-hydrazinyl-2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 113400337
N-(2-methyl-3-pyridinyl)-1H-indole-7-carboxamide
CID 79044351
2-amino-5-chloro-N-(2-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 114923980
3-amino-2-bromo-N-methylbenzamide
CID 100681188

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide (CID 113367036) is 3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide is Cc1ncccc1NC(=O)c1cccc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide?
The InChIKey is OQBJIVKOSRBKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-11(6-3-7-16-8)17-13(18)9-4-2-5-10(15)12(9)14/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide?
3-amino-2-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 3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 113367036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).