1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C127H149Cl6N13O8S6 — CID 159878827

IUPAC1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC(=O)C1CCCN(C(=O)c2cccc(CSc3c(C)cccc3Cl)n2)C1.CCN(CC)C(=O)C1CCCN(C(=O)c2cccc(CSc3c(C)cccc3Cl)n2)C1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CC(C)CC(C)C2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCC(C)CC2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCCC(C)(C)C2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCCC(C)C2)n1
InChIInChI=1S/C24H30ClN3O2S.C21H23ClN2O2S.2C21H25ClN2OS.2C20H23ClN2OS/c1-4-27(5-2)23(29)18-10-8-14-28(15-18)24(30)21-13-7-11-19(26-21)16-31-22-17(3)9-6-12-20(22)25;1-14-6-3-9-18(22)20(14)27-13-17-8-4-10-19(23-17)21(26)24-11-5-7-16(12-24)15(2)25;1-15-7-4-9-17(22)19(15)26-13-16-8-5-10-18(23-16)20(25)24-12-6-11-21(2,3)14-24;1-14-10-15(2)12-24(11-14)21(25)19-9-5-7-17(23-19)13-26-20-16(3)6-4-8-18(20)22;1-14-6-5-11-23(12-14)20(24)18-10-4-8-16(22-18)13-25-19-15(2)7-3-9-17(19)21;1-14-9-11-23(12-10-14)20(24)18-8-4-6-16(22-18)13-25-19-15(2)5-3-7-17(19)21/h6-7,9,11-13,18H,4-5,8,10,14-16H2,1-3H3;3-4,6,8-10,16H,5,7,11-13H2,1-2H3;4-5,7-10H,6,11-14H2,1-3H3;4-9,14-15H,10-13H2,1-3H3;3-4,7-10,14H,5-6,11-13H2,1-2H3;3-8,14H,9-13H2,1-2H3
InChIKeyNTGODURYANYMJE-UHFFFAOYSA-N
MW2390.79 g/mol
LogP31.30
Rot. Bonds28

About 1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 159878827) has the molecular formula C127H149Cl6N13O8S6 and a molecular weight of 2390.79 g/mol. Its IUPAC name is 1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID159878827
Molecular FormulaC127H149Cl6N13O8S6
Molecular Weight2390.79 g/mol
Exact Mass2385.81
IUPAC Name1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC(=O)C1CCCN(C(=O)c2cccc(CSc3c(C)cccc3Cl)n2)C1.CCN(CC)C(=O)C1CCCN(C(=O)c2cccc(CSc3c(C)cccc3Cl)n2)C1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CC(C)CC(C)C2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCC(C)CC2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCCC(C)(C)C2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCCC(C)C2)n1
InChIInChI=1S/C24H30ClN3O2S.C21H23ClN2O2S.2C21H25ClN2OS.2C20H23ClN2OS/c1-4-27(5-2)23(29)18-10-8-14-28(15-18)24(30)21-13-7-11-19(26-21)16-31-22-17(3)9-6-12-20(22)25;1-14-6-3-9-18(22)20(14)27-13-17-8-4-10-19(23-17)21(26)24-11-5-7-16(12-24)15(2)25;1-15-7-4-9-17(22)19(15)26-13-16-8-5-10-18(23-16)20(25)24-12-6-11-21(2,3)14-24;1-14-10-15(2)12-24(11-14)21(25)19-9-5-7-17(23-19)13-26-20-16(3)6-4-8-18(20)22;1-14-6-5-11-23(12-14)20(24)18-10-4-8-16(22-18)13-25-19-15(2)7-3-9-17(19)21;1-14-9-11-23(12-10-14)20(24)18-8-4-6-16(22-18)13-25-19-15(2)5-3-7-17(19)21/h6-7,9,11-13,18H,4-5,8,10,14-16H2,1-3H3;3-4,6,8-10,16H,5,7,11-13H2,1-2H3;4-5,7-10H,6,11-14H2,1-3H3;4-9,14-15H,10-13H2,1-3H3;3-4,7-10,14H,5-6,11-13H2,1-2H3;3-8,14H,9-13H2,1-2H3
InChIKeyNTGODURYANYMJE-UHFFFAOYSA-N
XLogP31.30
TPSA236.58 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002390.79
LogP ≤ 531.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of 1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 159878827) is 1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for 1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC(=O)C1CCCN(C(=O)c2cccc(CSc3c(C)cccc3Cl)n2)C1.CCN(CC)C(=O)C1CCCN(C(=O)c2cccc(CSc3c(C)cccc3Cl)n2)C1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CC(C)CC(C)C2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCC(C)CC2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCCC(C)(C)C2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCCC(C)C2)n1.
What is the InChIKey of 1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is NTGODURYANYMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2S.C21H23ClN2O2S.2C21H25ClN2OS.2C20H23ClN2OS/c1-4-27(5-2)23(29)18-10-8-14-28(15-18)24(30)21-13-7-11-19(26-21)16-31-22-17(3)9-6-12-20(22)25;1-14-6-3-9-18(22)20(14)27-13-17-8-4-10-19(23-17)21(26)24-11-5-7-16(12-24)15(2)25;1-15-7-4-9-17(22)19(15)26-13-16-8-5-10-18(23-16)20(25)24-12-6-11-21(2,3)14-24;1-14-10-15(2)12-24(11-14)21(25)19-9-5-7-17(23-19)13-26-20-16(3)6-4-8-18(20)22;1-14-6-5-11-23(12-14)20(24)18-10-4-8-16(22-18)13-25-19-15(2)7-3-9-17(19)21;1-14-9-11-23(12-10-14)20(24)18-8-4-6-16(22-18)13-25-19-15(2)5-3-7-17(19)21/h6-7,9,11-13,18H,4-5,8,10,14-16H2,1-3H3;3-4,6,8-10,16H,5,7,11-13H2,1-2H3;4-5,7-10H,6,11-14H2,1-3H3;4-9,14-15H,10-13H2,1-3H3;3-4,7-10,14H,5-6,11-13H2,1-2H3;3-8,14H,9-13H2,1-2H3.
What are the key properties of 1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 2390.79 g/mol, XLogP of 31.30, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 159878827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).