N-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide

C12H16Br2N2O — CID 69165358

IUPACN-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(CBr)c(Br)cn1
InChIInChI=1S/C12H16Br2N2O/c1-4-12(2,3)11(17)16-10-5-8(6-13)9(14)7-15-10/h5,7H,4,6H2,1-3H3,(H,15,16,17)
InChIKeyBJLXUPUVOUOEEE-UHFFFAOYSA-N
MW364.08 g/mol
LogP4.11
Rot. Bonds4

About N-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide

N-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide (PubChem CID 69165358) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is N-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide
PubChem CID69165358
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC NameN-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(CBr)c(Br)cn1
InChIInChI=1S/C12H16Br2N2O/c1-4-12(2,3)11(17)16-10-5-8(6-13)9(14)7-15-10/h5,7H,4,6H2,1-3H3,(H,15,16,17)
InChIKeyBJLXUPUVOUOEEE-UHFFFAOYSA-N
XLogP4.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(Pivaloylamino)pyridine
CID 1051519
2-Acetamido-5-bromopyridine
CID 293097
2-(azepan-1-yl)-N-(5-bromopyridin-2-yl)acetamide
CID 6467566
N-(5-bromopyridin-2-yl)-3-cyclopentylpropanamide
CID 599999
(2E)-N-(5-bromopyridin-2-yl)-3-phenylprop-2-enamide
CID 691129
1-(5-Bromopyridin-2-yl)-3-butylurea
CID 2103155
N-(5-bromo-2-pyridinyl)pentanamide
CID 2292858
N-(5-bromopyridin-2-yl)propanamide
CID 774878
2-(methylamino)-N-(4-methylpyridin-2-yl)acetamide
CID 28399469
2-Acetamido-3-methylpyridine
CID 268295
2-Acetoacetamido-4-methylpyridine
CID 459529
N-(4-Methyl-2-pyridyl)acetamide
CID 220485

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide (CID 69165358) is N-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cc(CBr)c(Br)cn1.
What is the InChIKey of N-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide?
The InChIKey is BJLXUPUVOUOEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-4-12(2,3)11(17)16-10-5-8(6-13)9(14)7-15-10/h5,7H,4,6H2,1-3H3,(H,15,16,17).
What are the key properties of N-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide?
N-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide has a molecular weight of 364.08 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-4-(bromomethyl)-2-pyridinyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 69165358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).