N-(5-bromo-3-pyridinyl)-3-methylbenzamide

C13H11BrN2O — CID 110869014

IUPACN-(5-bromo-3-pyridinyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cncc(Br)c2)c1
InChIInChI=1S/C13H11BrN2O/c1-9-3-2-4-10(5-9)13(17)16-12-6-11(14)7-15-8-12/h2-8H,1H3,(H,16,17)
InChIKeyHDZVGRFXPKNBMG-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.40
Rot. Bonds2

About N-(5-bromo-3-pyridinyl)-3-methylbenzamide

N-(5-bromo-3-pyridinyl)-3-methylbenzamide (PubChem CID 110869014) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-3-methylbenzamide
PubChem CID110869014
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC NameN-(5-bromo-3-pyridinyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cncc(Br)c2)c1
InChIInChI=1S/C13H11BrN2O/c1-9-3-2-4-10(5-9)13(17)16-12-6-11(14)7-15-8-12/h2-8H,1H3,(H,16,17)
InChIKeyHDZVGRFXPKNBMG-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide
CID 114222934
[3-[(5-bromo-3-pyridinyl)carbamoyl]phenyl] propanoate
CID 68948518
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 103730447
3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane
CID 145349636
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
5-hydroxy-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63865627
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-3-methylbenzamide?
The IUPAC name of N-(5-bromo-3-pyridinyl)-3-methylbenzamide (CID 110869014) is N-(5-bromo-3-pyridinyl)-3-methylbenzamide.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-3-methylbenzamide?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cncc(Br)c2)c1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-3-methylbenzamide?
The InChIKey is HDZVGRFXPKNBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-9-3-2-4-10(5-9)13(17)16-12-6-11(14)7-15-8-12/h2-8H,1H3,(H,16,17).
What are the key properties of N-(5-bromo-3-pyridinyl)-3-methylbenzamide?
N-(5-bromo-3-pyridinyl)-3-methylbenzamide has a molecular weight of 291.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-3-methylbenzamide is sourced from PubChem (CID 110869014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).