N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide

C11H15ClN2O — CID 114294381

IUPACN-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide
SMILESCCC(CCl)NC(=O)c1cccc(C)n1
InChIInChI=1S/C11H15ClN2O/c1-3-9(7-12)14-11(15)10-6-4-5-8(2)13-10/h4-6,9H,3,7H2,1-2H3,(H,14,15)
InChIKeyODNWXOXCLHXDQH-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.14
Rot. Bonds4

About N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide

N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide (PubChem CID 114294381) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide
PubChem CID114294381
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide
SMILESCCC(CCl)NC(=O)c1cccc(C)n1
InChIInChI=1S/C11H15ClN2O/c1-3-9(7-12)14-11(15)10-6-4-5-8(2)13-10/h4-6,9H,3,7H2,1-2H3,(H,14,15)
InChIKeyODNWXOXCLHXDQH-UHFFFAOYSA-N
XLogP2.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-chlorobutan-2-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

6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 115902016
5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide
CID 114294391
6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 62239936
N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 114177913
N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide
CID 103528407
N-(2-ethylbutyl)-6-methylpyridine-2-carboxamide
CID 115612957
2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
N-(1-chlorobutan-2-yl)thiadiazole-4-carboxamide
CID 114294773
N-[1-(4-methoxyphenyl)propyl]-6-methylpyridine-2-carboxamide
CID 134001680
N-(1-chlorobutan-2-yl)-2-methylbenzamide
CID 114294187
N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 131183457

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide (CID 114294381) is N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide is CCC(CCl)NC(=O)c1cccc(C)n1.
What is the InChIKey of N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide?
The InChIKey is ODNWXOXCLHXDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-9(7-12)14-11(15)10-6-4-5-8(2)13-10/h4-6,9H,3,7H2,1-2H3,(H,14,15).
What are the key properties of N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide?
N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide has a molecular weight of 226.71 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 114294381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).