4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide

C14H14BrN3O — CID 79733791

IUPAC4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(C)c(Br)cn2)ccc1N
InChIInChI=1S/C14H14BrN3O/c1-8-6-13(17-7-11(8)15)18-14(19)10-3-4-12(16)9(2)5-10/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyLLBWJZJPERIXLQ-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.30
Rot. Bonds2

About 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide

4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide (PubChem CID 79733791) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
PubChem CID79733791
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(C)c(Br)cn2)ccc1N
InChIInChI=1S/C14H14BrN3O/c1-8-6-13(17-7-11(8)15)18-14(19)10-3-4-12(16)9(2)5-10/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyLLBWJZJPERIXLQ-UHFFFAOYSA-N
XLogP3.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.30
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

4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide
CID 79734700
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide
CID 79733686
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
CID 79733912
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189
3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
CID 79734210
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide
CID 79729860
4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 113338779
3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide
CID 107872932
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 79734498
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 81323954

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide (CID 79733791) is 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide is Cc1cc(C(=O)Nc2cc(C)c(Br)cn2)ccc1N.
What is the InChIKey of 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide?
The InChIKey is LLBWJZJPERIXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-8-6-13(17-7-11(8)15)18-14(19)10-3-4-12(16)9(2)5-10/h3-7H,16H2,1-2H3,(H,17,18,19).
What are the key properties of 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide?
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide has a molecular weight of 320.19 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide is sourced from PubChem (CID 79733791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).