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

C30H32N8O4 — CID 129136045

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

2-(3-methoxy-2-pyridinyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-methoxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (PubChem CID 129136045) has the molecular formula C30H32N8O4 and a molecular weight of 568.64 g/mol. Its IUPAC name is 2-(3-methoxy-2-pyridinyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-methoxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3-methoxy-2-pyridinyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-methoxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• PubChem CID: 129136045
• Molecular Formula: C30H32N8O4
• Molecular Weight: 568.64 g/mol
• Exact Mass: 568.25
• IUPAC Name: 2-(3-methoxy-2-pyridinyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-methoxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• SMILES: COc1cccnc1CC(=O)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4ncccc4OC)nn3)C2)nn1
• InChI: InChI=1S/C30H32N8O4/c1-41-25-8-4-14-31-23(25)17-29(39)33-27-12-10-21(35-37-27)19-6-3-7-20(16-19)22-11-13-28(38-36-22)34-30(40)18-24-26(42-2)9-5-15-32-24/h4-5,8-15,19-20H,3,6-7,16-18H2,1-2H3,(H,33,37,39)(H,34,38,40)/t19-,20-/m0/s1
• InChIKey: GVQDRTVTDIFYNU-PMACEKPBSA-N
• XLogP: 3.88
• TPSA: 154.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.64
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-(3-methoxy-2-pyridinyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-methoxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (CID 129136045) is 2-(3-methoxy-2-pyridinyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-methoxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

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

The canonical SMILES for 2-(3-methoxy-2-pyridinyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-methoxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is COc1cccnc1CC(=O)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4ncccc4OC)nn3)C2)nn1.

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

The InChIKey is GVQDRTVTDIFYNU-PMACEKPBSA-N. The full InChI is InChI=1S/C30H32N8O4/c1-41-25-8-4-14-31-23(25)17-29(39)33-27-12-10-21(35-37-27)19-6-3-7-20(16-19)22-11-13-28(38-36-22)34-30(40)18-24-26(42-2)9-5-15-32-24/h4-5,8-15,19-20H,3,6-7,16-18H2,1-2H3,(H,33,37,39)(H,34,38,40)/t19-,20-/m0/s1.

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

2-(3-methoxy-2-pyridinyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-methoxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide has a molecular weight of 568.64 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxy-2-pyridinyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-methoxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 129136045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).