6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide

C20H23ClN2O2 — CID 58210807

IUPAC6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide
SMILESCc1ccc(OCc2cccc(C(=O)NC3CCCCC3)n2)c(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c1-14-10-11-19(17(21)12-14)25-13-16-8-5-9-18(22-16)20(24)23-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7,13H2,1H3,(H,23,24)
InChIKeyFLCAPFJSYSSEEI-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.68
Rot. Bonds5

About 6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide

6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide (PubChem CID 58210807) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide
PubChem CID58210807
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide
SMILESCc1ccc(OCc2cccc(C(=O)NC3CCCCC3)n2)c(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c1-14-10-11-19(17(21)12-14)25-13-16-8-5-9-18(22-16)20(24)23-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7,13H2,1H3,(H,23,24)
InChIKeyFLCAPFJSYSSEEI-UHFFFAOYSA-N
XLogP4.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide
CID 58210525
N-cyclohexyl-6-[(2,6-dichlorophenoxy)methyl]pyridine-2-carboxamide
CID 58211063
[6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone
CID 143311484
6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908889
6-N-cyclohexyl-2-N-(2-methoxy-5-methylphenyl)pyridine-2,6-dicarboxamide
CID 109095367
6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide
CID 11988639
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
6-chloro-N-cyclobutylpyridine-2-carboxamide
CID 62416543
6-(2-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide
CID 58210870
6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109099263

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide?
The IUPAC name of 6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide (CID 58210807) is 6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide.
What is the SMILES notation for 6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide?
The canonical SMILES for 6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide is Cc1ccc(OCc2cccc(C(=O)NC3CCCCC3)n2)c(Cl)c1.
What is the InChIKey of 6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide?
The InChIKey is FLCAPFJSYSSEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14-10-11-19(17(21)12-14)25-13-16-8-5-9-18(22-16)20(24)23-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7,13H2,1H3,(H,23,24).
What are the key properties of 6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide?
6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide is sourced from PubChem (CID 58210807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).