N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide

C14H19ClN2O — CID 102638056

IUPACN-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)C2CCCCC2Cl)cn1
InChIInChI=1S/C14H19ClN2O/c1-10-7-8-11(9-16-10)14(18)17(2)13-6-4-3-5-12(13)15/h7-9,12-13H,3-6H2,1-2H3
InChIKeyYDQAPABWNIKCCO-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.01
Rot. Bonds2

About N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide

N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide (PubChem CID 102638056) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide
PubChem CID102638056
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)C2CCCCC2Cl)cn1
InChIInChI=1S/C14H19ClN2O/c1-10-7-8-11(9-16-10)14(18)17(2)13-6-4-3-5-12(13)15/h7-9,12-13H,3-6H2,1-2H3
InChIKeyYDQAPABWNIKCCO-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

4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide
CID 102638083
N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 102638149
N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide
CID 102637885
6-bromo-N-methyl-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 66463517
N-(cyclohexylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 39975112
N-(2-chlorocyclohexyl)-N,4-dimethyl-3-nitrobenzamide
CID 102638136
N-(2-chloroethyl)-N-cyclohexyl-6-methylpyridine-3-carboxamide
CID 63391189
N-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide
CID 138466898
N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 102638059
N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 102637990
N,6-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 31121176
N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134020401

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide (CID 102638056) is N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)N(C)C2CCCCC2Cl)cn1.
What is the InChIKey of N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is YDQAPABWNIKCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-7-8-11(9-16-10)14(18)17(2)13-6-4-3-5-12(13)15/h7-9,12-13H,3-6H2,1-2H3.
What are the key properties of N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide?
N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-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-3-carboxamide is sourced from PubChem (CID 102638056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).