N-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide

C13H12BrN3O — CID 79734130

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide
SMILESCc1cc(NC(=O)Cc2ccccn2)ncc1Br
InChIInChI=1S/C13H12BrN3O/c1-9-6-12(16-8-11(9)14)17-13(18)7-10-4-2-3-5-15-10/h2-6,8H,7H2,1H3,(H,16,17,18)
InChIKeyUJGJRHJRTVYAKA-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.73
Rot. Bonds3

About N-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide (PubChem CID 79734130) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide
PubChem CID79734130
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide
SMILESCc1cc(NC(=O)Cc2ccccn2)ncc1Br
InChIInChI=1S/C13H12BrN3O/c1-9-6-12(16-8-11(9)14)17-13(18)7-10-4-2-3-5-15-10/h2-6,8H,7H2,1H3,(H,16,17,18)
InChIKeyUJGJRHJRTVYAKA-UHFFFAOYSA-N
XLogP2.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 79729951
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 80741257
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
N-(3-hydroxy-4-methylphenyl)-2-pyridin-2-ylacetamide
CID 64794376
N-(2,3-dimethylphenyl)-2-pyridin-2-ylacetamide
CID 110696972
N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602862
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79730214
N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 79734408
3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 63112491
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide
CID 79733322

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide (CID 79734130) is N-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide is Cc1cc(NC(=O)Cc2ccccn2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide?
The InChIKey is UJGJRHJRTVYAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-9-6-12(16-8-11(9)14)17-13(18)7-10-4-2-3-5-15-10/h2-6,8H,7H2,1H3,(H,16,17,18).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide has a molecular weight of 306.16 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 79734130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).