N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide

C13H19BrN2O — CID 114317633

IUPACN-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide
SMILESCCC(CCBr)CNC(=O)c1ccc(C)nc1
InChIInChI=1S/C13H19BrN2O/c1-3-11(6-7-14)8-16-13(17)12-5-4-10(2)15-9-12/h4-5,9,11H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyQKXPYPBYQHXDJM-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.93
Rot. Bonds6

About N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide

N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide (PubChem CID 114317633) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide
PubChem CID114317633
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide
SMILESCCC(CCBr)CNC(=O)c1ccc(C)nc1
InChIInChI=1S/C13H19BrN2O/c1-3-11(6-7-14)8-16-13(17)12-5-4-10(2)15-9-12/h4-5,9,11H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyQKXPYPBYQHXDJM-UHFFFAOYSA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.93
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-(2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 115612931
N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide
CID 114317617
N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 114317772
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
N-(4-bromo-2-ethylbutyl)-4-methylsulfanylbenzamide
CID 114317601
N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide
CID 114317757
3-bromo-N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 107956765
3-bromo-N-(4-bromo-2-ethylbutyl)-4-chlorobenzamide
CID 107994072
N-(3-bromobutyl)-6-methylpyridine-3-carboxamide
CID 114312474
N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide
CID 114315764
N-(4-bromo-2-ethylbutyl)-3-chloro-4-fluorobenzamide
CID 82878753
N-(2-ethylbutyl)-6-methoxypyridine-3-carboxamide
CID 113232040

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide (CID 114317633) is N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide is CCC(CCBr)CNC(=O)c1ccc(C)nc1.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide?
The InChIKey is QKXPYPBYQHXDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-11(6-7-14)8-16-13(17)12-5-4-10(2)15-9-12/h4-5,9,11H,3,6-8H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide?
N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide has a molecular weight of 299.21 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylbutyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 114317633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).