6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone

C60H68Cl4N6O3S3 — CID 123680244

IUPAC6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cccc(CSc2ccc(Cl)cc2Cl)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)NC2CCC(C)CC2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C21H25ClN2OS.C20H23ClN2OS.C19H20Cl2N2OS/c1-14-9-11-16(12-10-14)24-21(25)19-8-4-6-17(23-19)13-26-20-15(2)5-3-7-18(20)22;1-14-7-5-11-17(21)19(14)25-13-16-10-6-12-18(22-16)20(24)23-15-8-3-2-4-9-15;1-13-5-2-3-10-23(13)19(24)17-7-4-6-15(22-17)12-25-18-9-8-14(20)11-16(18)21/h3-8,14,16H,9-13H2,1-2H3,(H,24,25);5-7,10-12,15H,2-4,8-9,13H2,1H3,(H,23,24);4,6-9,11,13H,2-3,5,10,12H2,1H3
InChIKeyOCBKVAUHSIYWQN-UHFFFAOYSA-N
MW1159.26 g/mol
LogP16.74
Rot. Bonds14

About 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone

6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 123680244) has the molecular formula C60H68Cl4N6O3S3 and a molecular weight of 1159.26 g/mol. Its IUPAC name is 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone
PubChem CID123680244
Molecular FormulaC60H68Cl4N6O3S3
Molecular Weight1159.26 g/mol
Exact Mass1156.33
IUPAC Name6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cccc(CSc2ccc(Cl)cc2Cl)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)NC2CCC(C)CC2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C21H25ClN2OS.C20H23ClN2OS.C19H20Cl2N2OS/c1-14-9-11-16(12-10-14)24-21(25)19-8-4-6-17(23-19)13-26-20-15(2)5-3-7-18(20)22;1-14-7-5-11-17(21)19(14)25-13-16-10-6-12-18(22-16)20(24)23-15-8-3-2-4-9-15;1-13-5-2-3-10-23(13)19(24)17-7-4-6-15(22-17)12-25-18-9-8-14(20)11-16(18)21/h3-8,14,16H,9-13H2,1-2H3,(H,24,25);5-7,10-12,15H,2-4,8-9,13H2,1H3,(H,23,24);4,6-9,11,13H,2-3,5,10,12H2,1H3
InChIKeyOCBKVAUHSIYWQN-UHFFFAOYSA-N
XLogP16.74
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001159.26
LogP ≤ 516.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone (CID 123680244) is 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cccc(CSc2ccc(Cl)cc2Cl)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)NC2CCC(C)CC2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)NC2CCCCC2)n1.
What is the InChIKey of 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is OCBKVAUHSIYWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2OS.C20H23ClN2OS.C19H20Cl2N2OS/c1-14-9-11-16(12-10-14)24-21(25)19-8-4-6-17(23-19)13-26-20-15(2)5-3-7-18(20)22;1-14-7-5-11-17(21)19(14)25-13-16-10-6-12-18(22-16)20(24)23-15-8-3-2-4-9-15;1-13-5-2-3-10-23(13)19(24)17-7-4-6-15(22-17)12-25-18-9-8-14(20)11-16(18)21/h3-8,14,16H,9-13H2,1-2H3,(H,24,25);5-7,10-12,15H,2-4,8-9,13H2,1H3,(H,23,24);4,6-9,11,13H,2-3,5,10,12H2,1H3.
What are the key properties of 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 1159.26 g/mol, XLogP of 16.74, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 123680244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).