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

C13H12BrN3O — CID 115274152

IUPACN-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide
SMILESCN(C(=O)Cc1ccccn1)c1ccc(Br)cn1
InChIInChI=1S/C13H12BrN3O/c1-17(12-6-5-10(14)9-16-12)13(18)8-11-4-2-3-7-15-11/h2-7,9H,8H2,1H3
InChIKeyFHHJEAVMHUHUIA-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.44
Rot. Bonds3

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

N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide (PubChem CID 115274152) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide
PubChem CID115274152
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide
SMILESCN(C(=O)Cc1ccccn1)c1ccc(Br)cn1
InChIInChI=1S/C13H12BrN3O/c1-17(12-6-5-10(14)9-16-12)13(18)8-11-4-2-3-7-15-11/h2-7,9H,8H2,1H3
InChIKeyFHHJEAVMHUHUIA-UHFFFAOYSA-N
XLogP2.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 115268319
N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide
CID 115274145
N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide
CID 115274143
N-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 146089533
1-(5-bromo-2-pyridinyl)-1-methyl-3-phenylurea
CID 115268322
N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide
CID 115268287
methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268324
N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylacetamide
CID 62681126
(3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide
CID 124593925
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide
CID 115268285
N-methyl-N-(1-methylpiperidin-4-yl)-2-pyridin-2-ylacetamide
CID 110468198

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide (CID 115274152) is N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide is CN(C(=O)Cc1ccccn1)c1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide?
The InChIKey is FHHJEAVMHUHUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-17(12-6-5-10(14)9-16-12)13(18)8-11-4-2-3-7-15-11/h2-7,9H,8H2,1H3.
What are the key properties of N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide?
N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide has a molecular weight of 306.16 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide is sourced from PubChem (CID 115274152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).