N-(chloromethyl)-N-methylpyridine-3-carboxamide

C8H9ClN2O — CID 141227221

IUPACN-(chloromethyl)-N-methylpyridine-3-carboxamide
SMILESCN(CCl)C(=O)c1cccnc1
InChIInChI=1S/C8H9ClN2O/c1-11(6-9)8(12)7-3-2-4-10-5-7/h2-5H,6H2,1H3
InChIKeyUVRPSTBZLFAIGJ-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.35
Rot. Bonds2

About N-(chloromethyl)-N-methylpyridine-3-carboxamide

N-(chloromethyl)-N-methylpyridine-3-carboxamide (PubChem CID 141227221) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is N-(chloromethyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(chloromethyl)-N-methylpyridine-3-carboxamide
PubChem CID141227221
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC NameN-(chloromethyl)-N-methylpyridine-3-carboxamide
SMILESCN(CCl)C(=O)c1cccnc1
InChIInChI=1S/C8H9ClN2O/c1-11(6-9)8(12)7-3-2-4-10-5-7/h2-5H,6H2,1H3
InChIKeyUVRPSTBZLFAIGJ-UHFFFAOYSA-N
XLogP1.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(chloromethyl)-N-methylpyridine-3-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-[2,2-dimethyl-3-[methyl(pyridine-3-carbonyl)amino]propyl]-N-methylpyridine-3-carboxamide
CID 166390474
N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79290970
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 54939157
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 78792336
N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
N-amino-N-hydroxypyridine-3-carboxamide
CID 54392890
N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84512305
N-methyl-N-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 71032143

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(chloromethyl)-N-methylpyridine-3-carboxamide (CID 141227221) is N-(chloromethyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(chloromethyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(chloromethyl)-N-methylpyridine-3-carboxamide is CN(CCl)C(=O)c1cccnc1.
What is the InChIKey of N-(chloromethyl)-N-methylpyridine-3-carboxamide?
The InChIKey is UVRPSTBZLFAIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-11(6-9)8(12)7-3-2-4-10-5-7/h2-5H,6H2,1H3.
What are the key properties of N-(chloromethyl)-N-methylpyridine-3-carboxamide?
N-(chloromethyl)-N-methylpyridine-3-carboxamide has a molecular weight of 184.63 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 141227221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).