2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide

C22H30N6O2 — CID 129136068

About 2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide

2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide (PubChem CID 129136068) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide
• PubChem CID: 129136068
• Molecular Formula: C22H30N6O2
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.24
• IUPAC Name: 2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide
• SMILES: CC(C)C(=O)Nc1ccc([C@@H]2CCC[C@@H](c3ccc(NC(=O)C(C)C)nn3)C2)nn1
• InChI: InChI=1S/C22H30N6O2/c1-13(2)21(29)23-19-10-8-17(25-27-19)15-6-5-7-16(12-15)18-9-11-20(28-26-18)24-22(30)14(3)4/h8-11,13-16H,5-7,12H2,1-4H3,(H,23,27,29)(H,24,28,30)/t15-,16-/m1/s1
• InChIKey: RBCILXVQEMHSQB-HZPDHXFCSA-N
• XLogP: 3.90
• TPSA: 109.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide?

The IUPAC name of 2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide (CID 129136068) is 2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide.

What is the SMILES notation for 2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide?

The canonical SMILES for 2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide is CC(C)C(=O)Nc1ccc([C@@H]2CCC[C@@H](c3ccc(NC(=O)C(C)C)nn3)C2)nn1.

What is the InChIKey of 2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide?

The InChIKey is RBCILXVQEMHSQB-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-13(2)21(29)23-19-10-8-17(25-27-19)15-6-5-7-16(12-15)18-9-11-20(28-26-18)24-22(30)14(3)4/h8-11,13-16H,5-7,12H2,1-4H3,(H,23,27,29)(H,24,28,30)/t15-,16-/m1/s1.

What are the key properties of 2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide?

2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide has a molecular weight of 410.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide is sourced from PubChem (CID 129136068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).