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

C14H14BrN3O — CID 112555464

IUPACN-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc(N)cc2C)c(Br)c1
InChIInChI=1S/C14H14BrN3O/c1-8-3-4-11(12(15)5-8)14(19)18-13-9(2)6-10(16)7-17-13/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyIHUAMBKZJAHXQY-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.30
Rot. Bonds2

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

N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide (PubChem CID 112555464) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide
PubChem CID112555464
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc(N)cc2C)c(Br)c1
InChIInChI=1S/C14H14BrN3O/c1-8-3-4-11(12(15)5-8)14(19)18-13-9(2)6-10(16)7-17-13/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyIHUAMBKZJAHXQY-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

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Related Compounds

N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-5-methylbenzamide
CID 112555334
N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide
CID 112555246
N-(5-amino-3-methyl-2-pyridinyl)-2,4-dihydroxybenzamide
CID 107721514
N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide
CID 112555441
N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide
CID 107937535
N-(5-amino-3-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 112555333
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide
CID 106509648
N-(5-amino-3-methyl-2-pyridinyl)-2,5-dichlorobenzamide
CID 112555309
N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide
CID 112555395
N-(5-amino-3-methyl-2-pyridinyl)-5-bromofuran-2-carboxamide
CID 112555233
2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide
CID 102989362
N-(5-amino-3-methyl-2-pyridinyl)-4-hydroxybenzamide
CID 112555394

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide (CID 112555464) is N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide is Cc1ccc(C(=O)Nc2ncc(N)cc2C)c(Br)c1.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide?
The InChIKey is IHUAMBKZJAHXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-8-3-4-11(12(15)5-8)14(19)18-13-9(2)6-10(16)7-17-13/h3-7H,16H2,1-2H3,(H,17,18,19).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide?
N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-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 N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide is sourced from PubChem (CID 112555464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).