N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide

C12H17BrN2O — CID 114316893

IUPACN-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCC(C)CCBr
InChIInChI=1S/C12H17BrN2O/c1-9(5-6-13)8-15-12(16)11-4-3-7-14-10(11)2/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyHTKIFAOJCHSSPS-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.54
Rot. Bonds5

About N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide

N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide (PubChem CID 114316893) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide
PubChem CID114316893
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCC(C)CCBr
InChIInChI=1S/C12H17BrN2O/c1-9(5-6-13)8-15-12(16)11-4-3-7-14-10(11)2/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyHTKIFAOJCHSSPS-UHFFFAOYSA-N
XLogP2.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.54
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-(4-bromo-2-methylbutyl)-2-hydroxybenzamide
CID 114316832
N-(4-bromo-2-methylbutyl)-2,3-difluorobenzamide
CID 114316854
N-(2-bromo-2-cyclopropylethyl)-2-methylpyridine-3-carboxamide
CID 114315880
N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide
CID 114316791
2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 66089719
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide
CID 104593577
N-(4-bromo-1-methoxybutan-2-yl)-2-methylpyridine-3-carboxamide
CID 106156171
N-(4-bromo-2-methylbutyl)isoquinoline-1-carboxamide
CID 113276128
2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 113440647
4-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316945
5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316915
N-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide (CID 114316893) is N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)NCC(C)CCBr.
What is the InChIKey of N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide?
The InChIKey is HTKIFAOJCHSSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9(5-6-13)8-15-12(16)11-4-3-7-14-10(11)2/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide?
N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide has a molecular weight of 285.19 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 114316893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).