bis(2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide);2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl chloride;2-chloro-5-nitropyridine;2,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;2,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;N-[4-iodo-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide;methane;N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;hydroiodide

C185H234Cl2F18I2N38O10 — CID 159916733

About bis(2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide);2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl chloride;2-chloro-5-nitropyridine;2,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;2,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;N-[4-iodo-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide;methane;N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;hydroiodide

bis(2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide);2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl chloride;2-chloro-5-nitropyridine;2,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;2,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;N-[4-iodo-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide;methane;N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;hydroiodide (PubChem CID 159916733) has the molecular formula C185H234Cl2F18I2N38O10 and a molecular weight of 3816.84 g/mol. Its IUPAC name is bis(2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide);2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl chloride;2-chloro-5-nitropyridine;2,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;2,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;N-[4-iodo-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide;methane;N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;hydroiodide.

Molecular Properties

• Compound Name: bis(2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide);2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl chloride;2-chloro-5-nitropyridine;2,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;2,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;N-[4-iodo-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide;methane;N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;hydroiodide
• PubChem CID: 159916733
• Molecular Formula: C185H234Cl2F18I2N38O10
• Molecular Weight: 3816.84 g/mol
• Exact Mass: 3813.61
• IUPAC Name: bis(2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide);2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl chloride;2-chloro-5-nitropyridine;2,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;2,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;N-[4-iodo-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide;methane;N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;hydroiodide
• SMILES: C.CC(C)(C(=O)Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CN1CCN(c2cc(I)c(NC(=O)C(C)(C)C)cn2)CC1.CN1CCN(c2ccc(N)cn2)CC1.CN1CCN(c2ccc(NC(=O)C(C)(C)C)cn2)CC1.CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1.CNc1cnc(N2CCN(C)CC2)cc1-c1ccccc1C.Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N.Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1NC(=O)C(C)(C)C.I.O=[N+]([O-])c1ccc(Cl)nc1
• InChI: InChI=1S/2C30H32F6N4O.C22H30N4O.C18H24N4.C17H22N4.C15H23IN4O.C15H24N4O.C12H9ClF6O.C10H14N4O2.C10H16N4.C5H3ClN2O2.CH4.HI/c2*1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36;1-16-8-6-7-9-17(16)18-14-20(26-12-10-25(5)11-13-26)23-15-19(18)24-21(27)22(2,3)4;1-14-6-4-5-7-15(14)16-12-18(20-13-17(16)19-2)22-10-8-21(3)9-11-22;1-13-5-3-4-6-14(13)15-11-17(19-12-16(15)18)21-9-7-20(2)8-10-21;1-15(2,3)14(21)18-12-10-17-13(9-11(12)16)20-7-5-19(4)6-8-20;1-15(2,3)14(20)17-12-5-6-13(16-11-12)19-9-7-18(4)8-10-19;1-10(2,9(13)20)6-3-7(11(14,15)16)5-8(4-6)12(17,18)19;1-12-4-6-13(7-5-12)10-3-2-9(8-11-10)14(15)16;1-13-4-6-14(7-5-13)10-3-2-9(11)8-12-10;6-5-2-1-4(3-7-5)8(9)10;;/h2*6-9,14-18H,10-13H2,1-5H3;6-9,14-15H,10-13H2,1-5H3,(H,24,27);4-7,12-13,19H,8-11H2,1-3H3;3-6,11-12H,7-10,18H2,1-2H3;9-10H,5-8H2,1-4H3,(H,18,21);5-6,11H,7-10H2,1-4H3,(H,17,20);3-5H,1-2H3;2-3,8H,4-7H2,1H3;2-3,8H,4-7,11H2,1H3;1-3H;1H4;1H
• InChIKey: FQRMZUYEULAPOK-UHFFFAOYSA-N
• XLogP: 35.67
• TPSA: 482.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 28
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3816.84
LogP ≤ 5	35.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide);2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl chloride;2-chloro-5-nitropyridine;2,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;2,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;N-[4-iodo-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide;methane;N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;hydroiodide?

The IUPAC name of bis(2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide);2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl chloride;2-chloro-5-nitropyridine;2,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;2,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;N-[4-iodo-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide;methane;N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;hydroiodide (CID 159916733) is bis(2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide);2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl chloride;2-chloro-5-nitropyridine;2,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;2,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;N-[4-iodo-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide;methane;N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;hydroiodide.

What is the SMILES notation for bis(2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide);2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl chloride;2-chloro-5-nitropyridine;2,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;2,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;N-[4-iodo-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide;methane;N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;hydroiodide?

The canonical SMILES for bis(2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide);2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl chloride;2-chloro-5-nitropyridine;2,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;2,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;N-[4-iodo-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide;methane;N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;hydroiodide is C.CC(C)(C(=O)Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CN1CCN(c2cc(I)c(NC(=O)C(C)(C)C)cn2)CC1.CN1CCN(c2ccc(N)cn2)CC1.CN1CCN(c2ccc(NC(=O)C(C)(C)C)cn2)CC1.CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1.CNc1cnc(N2CCN(C)CC2)cc1-c1ccccc1C.Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N.Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1NC(=O)C(C)(C)C.I.O=[N+]([O-])c1ccc(Cl)nc1.

What is the InChIKey of bis(2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide);2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl chloride;2-chloro-5-nitropyridine;2,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;2,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;N-[4-iodo-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide;methane;N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;hydroiodide?

The InChIKey is FQRMZUYEULAPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H32F6N4O.C22H30N4O.C18H24N4.C17H22N4.C15H23IN4O.C15H24N4O.C12H9ClF6O.C10H14N4O2.C10H16N4.C5H3ClN2O2.CH4.HI/c2*1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36;1-16-8-6-7-9-17(16)18-14-20(26-12-10-25(5)11-13-26)23-15-19(18)24-21(27)22(2,3)4;1-14-6-4-5-7-15(14)16-12-18(20-13-17(16)19-2)22-10-8-21(3)9-11-22;1-13-5-3-4-6-14(13)15-11-17(19-12-16(15)18)21-9-7-20(2)8-10-21;1-15(2,3)14(21)18-12-10-17-13(9-11(12)16)20-7-5-19(4)6-8-20;1-15(2,3)14(20)17-12-5-6-13(16-11-12)19-9-7-18(4)8-10-19;1-10(2,9(13)20)6-3-7(11(14,15)16)5-8(4-6)12(17,18)19;1-12-4-6-13(7-5-12)10-3-2-9(8-11-10)14(15)16;1-13-4-6-14(7-5-13)10-3-2-9(11)8-12-10;6-5-2-1-4(3-7-5)8(9)10;;/h2*6-9,14-18H,10-13H2,1-5H3;6-9,14-15H,10-13H2,1-5H3,(H,24,27);4-7,12-13,19H,8-11H2,1-3H3;3-6,11-12H,7-10,18H2,1-2H3;9-10H,5-8H2,1-4H3,(H,18,21);5-6,11H,7-10H2,1-4H3,(H,17,20);3-5H,1-2H3;2-3,8H,4-7H2,1H3;2-3,8H,4-7,11H2,1H3;1-3H;1H4;1H.

What are the key properties of bis(2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide);2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl chloride;2-chloro-5-nitropyridine;2,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;2,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;N-[4-iodo-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide;methane;N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;hydroiodide?

bis(2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide);2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl chloride;2-chloro-5-nitropyridine;2,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;2,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;N-[4-iodo-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide;methane;N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;hydroiodide has a molecular weight of 3816.84 g/mol, XLogP of 35.67, 28 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide);2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl chloride;2-chloro-5-nitropyridine;2,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;2,2-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide;N-[4-iodo-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide;methane;N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;hydroiodide is sourced from PubChem (CID 159916733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).