6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide

C20H23ClN2OS — CID 11988639

IUPAC6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide
SMILESCc1cccc(Cl)c1SCc1cccc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C20H23ClN2OS/c1-14-7-5-11-17(21)19(14)25-13-16-10-6-12-18(22-16)20(24)23-15-8-3-2-4-9-15/h5-7,10-12,15H,2-4,8-9,13H2,1H3,(H,23,24)
InChIKeyDFMAESSOTGIDEZ-UHFFFAOYSA-N
MW374.94 g/mol
LogP5.40
Rot. Bonds5

About 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide

6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide (PubChem CID 11988639) has the molecular formula C20H23ClN2OS and a molecular weight of 374.94 g/mol. Its IUPAC name is 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide
PubChem CID11988639
Molecular FormulaC20H23ClN2OS
Molecular Weight374.94 g/mol
Exact Mass374.12
IUPAC Name6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide
SMILESCc1cccc(Cl)c1SCc1cccc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C20H23ClN2OS/c1-14-7-5-11-17(21)19(14)25-13-16-10-6-12-18(22-16)20(24)23-15-8-3-2-4-9-15/h5-7,10-12,15H,2-4,8-9,13H2,1H3,(H,23,24)
InChIKeyDFMAESSOTGIDEZ-UHFFFAOYSA-N
XLogP5.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.94
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-6-[(2,6-dichlorophenoxy)methyl]pyridine-2-carboxamide
CID 58211063
6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109099263
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
6-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109095019
6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide
CID 58210807
6-(2-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide
CID 58210870
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide
CID 58210525
azepan-1-yl-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]methanone
CID 11990096
6-N-cyclopentyl-2-N-(2-ethyl-6-methylphenyl)pyridine-2,6-dicarboxamide
CID 109095024
[6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 123339669
6-chloro-N-cyclobutylpyridine-2-carboxamide
CID 62416543

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide?
The IUPAC name of 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide (CID 11988639) is 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide.
What is the SMILES notation for 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide?
The canonical SMILES for 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide is Cc1cccc(Cl)c1SCc1cccc(C(=O)NC2CCCCC2)n1.
What is the InChIKey of 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide?
The InChIKey is DFMAESSOTGIDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2OS/c1-14-7-5-11-17(21)19(14)25-13-16-10-6-12-18(22-16)20(24)23-15-8-3-2-4-9-15/h5-7,10-12,15H,2-4,8-9,13H2,1H3,(H,23,24).
What are the key properties of 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide?
6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide has a molecular weight of 374.94 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide is sourced from PubChem (CID 11988639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).