[2-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-6-(3-chloro-2-methylphenyl)-4-pyridinyl]methyl methanesulfonate;2-[6-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide;methane

C51H56Cl6N6O5S — CID 158483290

About [2-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-6-(3-chloro-2-methylphenyl)-4-pyridinyl]methyl methanesulfonate;2-[6-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide;methane

[2-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-6-(3-chloro-2-methylphenyl)-4-pyridinyl]methyl methanesulfonate;2-[6-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide;methane (PubChem CID 158483290) has the molecular formula C51H56Cl6N6O5S and a molecular weight of 1077.83 g/mol. Its IUPAC name is [2-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-6-(3-chloro-2-methylphenyl)-4-pyridinyl]methyl methanesulfonate;2-[6-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide;methane.

Molecular Properties

• Compound Name: [2-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-6-(3-chloro-2-methylphenyl)-4-pyridinyl]methyl methanesulfonate;2-[6-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide;methane
• PubChem CID: 158483290
• Molecular Formula: C51H56Cl6N6O5S
• Molecular Weight: 1077.83 g/mol
• Exact Mass: 1074.22
• IUPAC Name: [2-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-6-(3-chloro-2-methylphenyl)-4-pyridinyl]methyl methanesulfonate;2-[6-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide;methane
• SMILES: C.C.CCN1CCN(Cc2cc(-c3cccc(Cl)c3C)nc(C(C(N)=O)c3c(Cl)cccc3Cl)c2)CC1.Cc1c(Cl)cccc1-c1cc(COS(C)(=O)=O)cc(C(C(N)=O)c2c(Cl)cccc2Cl)n1
• InChI: InChI=1S/C27H29Cl3N4O.C22H19Cl3N2O4S.2CH4/c1-3-33-10-12-34(13-11-33)16-18-14-23(19-6-4-7-20(28)17(19)2)32-24(15-18)26(27(31)35)25-21(29)8-5-9-22(25)30;1-12-14(5-3-6-15(12)23)18-9-13(11-31-32(2,29)30)10-19(27-18)21(22(26)28)20-16(24)7-4-8-17(20)25;;/h4-9,14-15,26H,3,10-13,16H2,1-2H3,(H2,31,35);3-10,21H,11H2,1-2H3,(H2,26,28);2*1H4
• InChIKey: HHUDAKCBPZPCPK-UHFFFAOYSA-N
• XLogP: 12.15
• TPSA: 161.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1077.83
LogP ≤ 5	12.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-6-(3-chloro-2-methylphenyl)-4-pyridinyl]methyl methanesulfonate;2-[6-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide;methane?

The IUPAC name of [2-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-6-(3-chloro-2-methylphenyl)-4-pyridinyl]methyl methanesulfonate;2-[6-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide;methane (CID 158483290) is [2-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-6-(3-chloro-2-methylphenyl)-4-pyridinyl]methyl methanesulfonate;2-[6-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide;methane.

What is the SMILES notation for [2-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-6-(3-chloro-2-methylphenyl)-4-pyridinyl]methyl methanesulfonate;2-[6-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide;methane?

The canonical SMILES for [2-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-6-(3-chloro-2-methylphenyl)-4-pyridinyl]methyl methanesulfonate;2-[6-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide;methane is C.C.CCN1CCN(Cc2cc(-c3cccc(Cl)c3C)nc(C(C(N)=O)c3c(Cl)cccc3Cl)c2)CC1.Cc1c(Cl)cccc1-c1cc(COS(C)(=O)=O)cc(C(C(N)=O)c2c(Cl)cccc2Cl)n1.

What is the InChIKey of [2-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-6-(3-chloro-2-methylphenyl)-4-pyridinyl]methyl methanesulfonate;2-[6-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide;methane?

The InChIKey is HHUDAKCBPZPCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl3N4O.C22H19Cl3N2O4S.2CH4/c1-3-33-10-12-34(13-11-33)16-18-14-23(19-6-4-7-20(28)17(19)2)32-24(15-18)26(27(31)35)25-21(29)8-5-9-22(25)30;1-12-14(5-3-6-15(12)23)18-9-13(11-31-32(2,29)30)10-19(27-18)21(22(26)28)20-16(24)7-4-8-17(20)25;;/h4-9,14-15,26H,3,10-13,16H2,1-2H3,(H2,31,35);3-10,21H,11H2,1-2H3,(H2,26,28);2*1H4.

What are the key properties of [2-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-6-(3-chloro-2-methylphenyl)-4-pyridinyl]methyl methanesulfonate;2-[6-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide;methane?

[2-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-6-(3-chloro-2-methylphenyl)-4-pyridinyl]methyl methanesulfonate;2-[6-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide;methane has a molecular weight of 1077.83 g/mol, XLogP of 12.15, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-6-(3-chloro-2-methylphenyl)-4-pyridinyl]methyl methanesulfonate;2-[6-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide;methane is sourced from PubChem (CID 158483290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).