3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide

C124H129ClN24O6 — CID 161241220

IUPAC3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide
SMILESC.CC(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccccc1.CC(Nc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccccc1.CCCC(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccccc1Cl.Cc1ccc(C(C)Nc2ccc(-c3cccc(C(N)=O)c3)nn2)cc1.Cc1ccc([C@@H](C)CNc2ccc(-c3cccc(C(N)=O)c3)nn2)cc1.Cc1ccc([C@H](C)CNc2ccc(-c3cccc(C(N)=O)c3)nn2)cc1
InChIInChI=1S/C22H23ClN4O.2C21H22N4O.2C20H20N4O.C19H18N4O.CH4/c1-2-6-17(18-9-3-4-10-19(18)23)14-25-21-12-11-20(26-27-21)15-7-5-8-16(13-15)22(24)28;2*1-14-6-8-16(9-7-14)15(2)13-23-20-11-10-19(24-25-20)17-4-3-5-18(12-17)21(22)26;1-13-6-8-15(9-7-13)14(2)22-19-11-10-18(23-24-19)16-4-3-5-17(12-16)20(21)25;1-14(15-6-3-2-4-7-15)13-22-19-11-10-18(23-24-19)16-8-5-9-17(12-16)20(21)25;1-13(14-6-3-2-4-7-14)21-18-11-10-17(22-23-18)15-8-5-9-16(12-15)19(20)24;/h3-5,7-13,17H,2,6,14H2,1H3,(H2,24,28)(H,25,27);2*3-12,15H,13H2,1-2H3,(H2,22,26)(H,23,25);3-12,14H,1-2H3,(H2,21,25)(H,22,24);2-12,14H,13H2,1H3,(H2,21,25)(H,22,24);2-13H,1H3,(H2,20,24)(H,21,23);1H4/t;2*15-;;;;/m.10..../s1
InChIKeyVAAJXBBMAAAHQW-ADHKDXPUSA-N
MW2087.01 g/mol
LogP23.66
Rot. Bonds36

About 3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide

3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide (PubChem CID 161241220) has the molecular formula C124H129ClN24O6 and a molecular weight of 2087.01 g/mol. Its IUPAC name is 3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide
PubChem CID161241220
Molecular FormulaC124H129ClN24O6
Molecular Weight2087.01 g/mol
Exact Mass2085.02
IUPAC Name3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide
SMILESC.CC(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccccc1.CC(Nc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccccc1.CCCC(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccccc1Cl.Cc1ccc(C(C)Nc2ccc(-c3cccc(C(N)=O)c3)nn2)cc1.Cc1ccc([C@@H](C)CNc2ccc(-c3cccc(C(N)=O)c3)nn2)cc1.Cc1ccc([C@H](C)CNc2ccc(-c3cccc(C(N)=O)c3)nn2)cc1
InChIInChI=1S/C22H23ClN4O.2C21H22N4O.2C20H20N4O.C19H18N4O.CH4/c1-2-6-17(18-9-3-4-10-19(18)23)14-25-21-12-11-20(26-27-21)15-7-5-8-16(13-15)22(24)28;2*1-14-6-8-16(9-7-14)15(2)13-23-20-11-10-19(24-25-20)17-4-3-5-18(12-17)21(22)26;1-13-6-8-15(9-7-13)14(2)22-19-11-10-18(23-24-19)16-4-3-5-17(12-16)20(21)25;1-14(15-6-3-2-4-7-15)13-22-19-11-10-18(23-24-19)16-8-5-9-17(12-16)20(21)25;1-13(14-6-3-2-4-7-14)21-18-11-10-17(22-23-18)15-8-5-9-16(12-15)19(20)24;/h3-5,7-13,17H,2,6,14H2,1H3,(H2,24,28)(H,25,27);2*3-12,15H,13H2,1-2H3,(H2,22,26)(H,23,25);3-12,14H,1-2H3,(H2,21,25)(H,22,24);2-12,14H,13H2,1H3,(H2,21,25)(H,22,24);2-13H,1H3,(H2,20,24)(H,21,23);1H4/t;2*15-;;;;/m.10..../s1
InChIKeyVAAJXBBMAAAHQW-ADHKDXPUSA-N
XLogP23.66
TPSA485.40 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002087.01
LogP ≤ 523.66
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide (CID 161241220) is 3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide is C.CC(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccccc1.CC(Nc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccccc1.CCCC(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccccc1Cl.Cc1ccc(C(C)Nc2ccc(-c3cccc(C(N)=O)c3)nn2)cc1.Cc1ccc([C@@H](C)CNc2ccc(-c3cccc(C(N)=O)c3)nn2)cc1.Cc1ccc([C@H](C)CNc2ccc(-c3cccc(C(N)=O)c3)nn2)cc1.
What is the InChIKey of 3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide?
The InChIKey is VAAJXBBMAAAHQW-ADHKDXPUSA-N. The full InChI is InChI=1S/C22H23ClN4O.2C21H22N4O.2C20H20N4O.C19H18N4O.CH4/c1-2-6-17(18-9-3-4-10-19(18)23)14-25-21-12-11-20(26-27-21)15-7-5-8-16(13-15)22(24)28;2*1-14-6-8-16(9-7-14)15(2)13-23-20-11-10-19(24-25-20)17-4-3-5-18(12-17)21(22)26;1-13-6-8-15(9-7-13)14(2)22-19-11-10-18(23-24-19)16-4-3-5-17(12-16)20(21)25;1-14(15-6-3-2-4-7-15)13-22-19-11-10-18(23-24-19)16-8-5-9-17(12-16)20(21)25;1-13(14-6-3-2-4-7-14)21-18-11-10-17(22-23-18)15-8-5-9-16(12-15)19(20)24;/h3-5,7-13,17H,2,6,14H2,1H3,(H2,24,28)(H,25,27);2*3-12,15H,13H2,1-2H3,(H2,22,26)(H,23,25);3-12,14H,1-2H3,(H2,21,25)(H,22,24);2-12,14H,13H2,1H3,(H2,21,25)(H,22,24);2-13H,1H3,(H2,20,24)(H,21,23);1H4/t;2*15-;;;;/m.10..../s1.
What are the key properties of 3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide?
3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide has a molecular weight of 2087.01 g/mol, XLogP of 23.66, 36 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 161241220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).