3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide

C13H12BrN3O — CID 114047764

IUPAC3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide
SMILESCc1nc(Nc2cccc(C(N)=O)c2)ccc1Br
InChIInChI=1S/C13H12BrN3O/c1-8-11(14)5-6-12(16-8)17-10-4-2-3-9(7-10)13(15)18/h2-7H,1H3,(H2,15,18)(H,16,17)
InChIKeyVWICRDIKJCHIOC-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.00
Rot. Bonds3

About 3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide

3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide (PubChem CID 114047764) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide.

Molecular Properties

Compound Name3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide
PubChem CID114047764
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide
SMILESCc1nc(Nc2cccc(C(N)=O)c2)ccc1Br
InChIInChI=1S/C13H12BrN3O/c1-8-11(14)5-6-12(16-8)17-10-4-2-3-9(7-10)13(15)18/h2-7H,1H3,(H2,15,18)(H,16,17)
InChIKeyVWICRDIKJCHIOC-UHFFFAOYSA-N
XLogP3.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide
CID 171387328
3-[(6-cyano-2-pyridinyl)amino]benzamide
CID 107811342
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxybenzamide
CID 79049112
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307
3-[[4-(2-bromo-5-hydroxyanilino)pyrimidin-2-yl]amino]benzamide
CID 25138016
3-[[4-(3-hydroxy-4-methylanilino)pyrimidin-2-yl]amino]benzamide;hydrochloride
CID 57392873
3-[(5-aminopyrazin-2-yl)amino]benzamide
CID 114003795
3-(methylamino)benzamide
CID 18727714
N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide
CID 79041374
5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine
CID 114047534
3-[[4-(2-hydroxy-6-methylanilino)pyrimidin-2-yl]amino]benzamide
CID 25138020
sodium 6-(3-bromoanilino)-5-carbamoyl-2-methylpyridine-3-carboxylate
CID 23689600

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide?
The IUPAC name of 3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide (CID 114047764) is 3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide.
What is the SMILES notation for 3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide?
The canonical SMILES for 3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide is Cc1nc(Nc2cccc(C(N)=O)c2)ccc1Br.
What is the InChIKey of 3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide?
The InChIKey is VWICRDIKJCHIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-11(14)5-6-12(16-8)17-10-4-2-3-9(7-10)13(15)18/h2-7H,1H3,(H2,15,18)(H,16,17).
What are the key properties of 3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide?
3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide has a molecular weight of 306.16 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide is sourced from PubChem (CID 114047764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).