N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide

C14H19ClN2O — CID 102637885

IUPACN-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(C)C2CCCCC2Cl)n1
InChIInChI=1S/C14H19ClN2O/c1-10-6-5-8-12(16-10)14(18)17(2)13-9-4-3-7-11(13)15/h5-6,8,11,13H,3-4,7,9H2,1-2H3
InChIKeyWDLMCRQYUFXOCA-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.01
Rot. Bonds2

About N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide

N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide (PubChem CID 102637885) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide
PubChem CID102637885
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(C)C2CCCCC2Cl)n1
InChIInChI=1S/C14H19ClN2O/c1-10-6-5-8-12(16-10)14(18)17(2)13-9-4-3-7-11(13)15/h5-6,8,11,13H,3-4,7,9H2,1-2H3
InChIKeyWDLMCRQYUFXOCA-UHFFFAOYSA-N
XLogP3.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 102638059
N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide
CID 102638056
N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 102637990
4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide
CID 102638083
N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 102638149
N-(2-chlorocyclohexyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 102638117
5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide
CID 106690219
N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyridine-2-carboxamide
CID 42944559
6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558469
2-cyclopentyl-1-(6-methyl-2-pyridinyl)ethanone
CID 63555756
N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide
CID 102638215
N-(2-chlorocyclohexyl)-N,4-dimethyl-3-nitrobenzamide
CID 102638136

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide (CID 102637885) is N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide is Cc1cccc(C(=O)N(C)C2CCCCC2Cl)n1.
What is the InChIKey of N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is WDLMCRQYUFXOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-6-5-8-12(16-10)14(18)17(2)13-9-4-3-7-11(13)15/h5-6,8,11,13H,3-4,7,9H2,1-2H3.
What are the key properties of N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide?
N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 102637885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).