N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide

C13H19BrN2O — CID 106355356

IUPACN-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC(CCBr)C(C)C)n1
InChIInChI=1S/C13H19BrN2O/c1-9(2)11(7-8-14)16-13(17)12-6-4-5-10(3)15-12/h4-6,9,11H,7-8H2,1-3H3,(H,16,17)
InChIKeyMLKWHLUHIZNIQU-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.93
Rot. Bonds5

About N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide

N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide (PubChem CID 106355356) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
PubChem CID106355356
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC(CCBr)C(C)C)n1
InChIInChI=1S/C13H19BrN2O/c1-9(2)11(7-8-14)16-13(17)12-6-4-5-10(3)15-12/h4-6,9,11H,7-8H2,1-3H3,(H,16,17)
InChIKeyMLKWHLUHIZNIQU-UHFFFAOYSA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'}

Analyze N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 131183457
N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide
CID 106355309
N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 114177913
2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
N-[(1R)-1-cyclopropylethyl]-6-methylpyridine-2-carboxamide
CID 33045236
N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 114294381
2-[(6-methylpyridine-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16794367
N-(1-bromo-4-methylpentan-3-yl)-3,4-dimethylbenzamide
CID 106355347
6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide
CID 132942332
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide
CID 106355254
N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide
CID 103528407

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide (CID 106355356) is N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC(CCBr)C(C)C)n1.
What is the InChIKey of N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide?
The InChIKey is MLKWHLUHIZNIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(2)11(7-8-14)16-13(17)12-6-4-5-10(3)15-12/h4-6,9,11H,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide?
N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide has a molecular weight of 299.21 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 106355356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).