2-[3-(ethylamino)phenyl]-N-[6-[(1S,3S)-3-[6-[[2-[3-(ethylamino)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

C34H40N8O2 — CID 129136075

About 2-[3-(ethylamino)phenyl]-N-[6-[(1S,3S)-3-[6-[[2-[3-(ethylamino)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

2-[3-(ethylamino)phenyl]-N-[6-[(1S,3S)-3-[6-[[2-[3-(ethylamino)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (PubChem CID 129136075) has the molecular formula C34H40N8O2 and a molecular weight of 592.75 g/mol. Its IUPAC name is 2-[3-(ethylamino)phenyl]-N-[6-[(1S,3S)-3-[6-[[2-[3-(ethylamino)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-(ethylamino)phenyl]-N-[6-[(1S,3S)-3-[6-[[2-[3-(ethylamino)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• PubChem CID: 129136075
• Molecular Formula: C34H40N8O2
• Molecular Weight: 592.75 g/mol
• Exact Mass: 592.33
• IUPAC Name: 2-[3-(ethylamino)phenyl]-N-[6-[(1S,3S)-3-[6-[[2-[3-(ethylamino)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• SMILES: CCNc1cccc(CC(=O)Nc2ccc([C@H]3CCC[C@H](c4ccc(NC(=O)Cc5cccc(NCC)c5)nn4)C3)nn2)c1
• InChI: InChI=1S/C34H40N8O2/c1-3-35-27-12-5-8-23(18-27)20-33(43)37-31-16-14-29(39-41-31)25-10-7-11-26(22-25)30-15-17-32(42-40-30)38-34(44)21-24-9-6-13-28(19-24)36-4-2/h5-6,8-9,12-19,25-26,35-36H,3-4,7,10-11,20-22H2,1-2H3,(H,37,41,43)(H,38,42,44)/t25-,26-/m0/s1
• InChIKey: HUZHVWJZJMCMDP-UIOOFZCWSA-N
• XLogP: 5.93
• TPSA: 133.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.75
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)phenyl]-N-[6-[(1S,3S)-3-[6-[[2-[3-(ethylamino)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The IUPAC name of 2-[3-(ethylamino)phenyl]-N-[6-[(1S,3S)-3-[6-[[2-[3-(ethylamino)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (CID 129136075) is 2-[3-(ethylamino)phenyl]-N-[6-[(1S,3S)-3-[6-[[2-[3-(ethylamino)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

What is the SMILES notation for 2-[3-(ethylamino)phenyl]-N-[6-[(1S,3S)-3-[6-[[2-[3-(ethylamino)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The canonical SMILES for 2-[3-(ethylamino)phenyl]-N-[6-[(1S,3S)-3-[6-[[2-[3-(ethylamino)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is CCNc1cccc(CC(=O)Nc2ccc([C@H]3CCC[C@H](c4ccc(NC(=O)Cc5cccc(NCC)c5)nn4)C3)nn2)c1.

What is the InChIKey of 2-[3-(ethylamino)phenyl]-N-[6-[(1S,3S)-3-[6-[[2-[3-(ethylamino)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The InChIKey is HUZHVWJZJMCMDP-UIOOFZCWSA-N. The full InChI is InChI=1S/C34H40N8O2/c1-3-35-27-12-5-8-23(18-27)20-33(43)37-31-16-14-29(39-41-31)25-10-7-11-26(22-25)30-15-17-32(42-40-30)38-34(44)21-24-9-6-13-28(19-24)36-4-2/h5-6,8-9,12-19,25-26,35-36H,3-4,7,10-11,20-22H2,1-2H3,(H,37,41,43)(H,38,42,44)/t25-,26-/m0/s1.

What are the key properties of 2-[3-(ethylamino)phenyl]-N-[6-[(1S,3S)-3-[6-[[2-[3-(ethylamino)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

2-[3-(ethylamino)phenyl]-N-[6-[(1S,3S)-3-[6-[[2-[3-(ethylamino)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide has a molecular weight of 592.75 g/mol, XLogP of 5.93, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(ethylamino)phenyl]-N-[6-[(1S,3S)-3-[6-[[2-[3-(ethylamino)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 129136075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).