N-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide

C12H16Br2N2O — CID 107868094

IUPACN-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide
SMILESCCC(CBr)(CBr)NC(=O)c1cccc(C)n1
InChIInChI=1S/C12H16Br2N2O/c1-3-12(7-13,8-14)16-11(17)10-6-4-5-9(2)15-10/h4-6H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyIPEXIZJAMRKVNG-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.06
Rot. Bonds5

About N-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide

N-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide (PubChem CID 107868094) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is N-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide
PubChem CID107868094
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC NameN-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide
SMILESCCC(CBr)(CBr)NC(=O)c1cccc(C)n1
InChIInChI=1S/C12H16Br2N2O/c1-3-12(7-13,8-14)16-11(17)10-6-4-5-9(2)15-10/h4-6H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyIPEXIZJAMRKVNG-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 53.06
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

N-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide
CID 113275834
N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide
CID 114295056
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-methylbenzamide
CID 107868007
N-(3-ethylpentan-3-yl)-6-hydrazinylpyridine-2-carboxamide
CID 65042969
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2H-triazole-4-carboxamide
CID 107868064
N-[3-(bromomethyl)pentan-3-yl]-2-methylquinoline-4-carboxamide
CID 114315257
methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
3-bromo-N-[3-(bromomethyl)pentan-3-yl]-2-methylbenzamide
CID 113275775
N-[3-(bromomethyl)pentan-3-yl]-2H-triazole-4-carboxamide
CID 114315320
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-fluorobenzamide
CID 107868190
N-(2-ethylbutyl)-6-methylpyridine-2-carboxamide
CID 115612957
N-[1-bromo-2-(bromomethyl)butan-2-yl]quinoxaline-5-carboxamide
CID 107868181

Frequently Asked Questions

What is the IUPAC name of N-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide (CID 107868094) is N-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide is CCC(CBr)(CBr)NC(=O)c1cccc(C)n1.
What is the InChIKey of N-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is IPEXIZJAMRKVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-3-12(7-13,8-14)16-11(17)10-6-4-5-9(2)15-10/h4-6H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide?
N-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 364.08 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-bromo-2-(bromomethyl)butan-2-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 107868094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).