ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate

C25H36N6O4 — CID 129033606

About ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate

ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate (PubChem CID 129033606) has the molecular formula C25H36N6O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate
• PubChem CID: 129033606
• Molecular Formula: C25H36N6O4
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.28
• IUPAC Name: ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate
• SMILES: CCOC(=O)c1cc(N2CCC(COC)CC2)c(/C(=N/C)C(C)C)c(Nc2ccc(=O)n(C)n2)n1
• InChI: InChI=1S/C25H36N6O4/c1-7-35-25(33)18-14-19(31-12-10-17(11-13-31)15-34-6)22(23(26-4)16(2)3)24(27-18)28-20-8-9-21(32)30(5)29-20/h8-9,14,16-17H,7,10-13,15H2,1-6H3,(H,27,28,29)/b26-23+
• InChIKey: FEWWKTWWBOZWRU-WNAAXNPUSA-N
• XLogP: 3.03
• TPSA: 110.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate?

The IUPAC name of ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate (CID 129033606) is ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate.

What is the SMILES notation for ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate?

The canonical SMILES for ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate is CCOC(=O)c1cc(N2CCC(COC)CC2)c(/C(=N/C)C(C)C)c(Nc2ccc(=O)n(C)n2)n1.

What is the InChIKey of ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate?

The InChIKey is FEWWKTWWBOZWRU-WNAAXNPUSA-N. The full InChI is InChI=1S/C25H36N6O4/c1-7-35-25(33)18-14-19(31-12-10-17(11-13-31)15-34-6)22(23(26-4)16(2)3)24(27-18)28-20-8-9-21(32)30(5)29-20/h8-9,14,16-17H,7,10-13,15H2,1-6H3,(H,27,28,29)/b26-23+.

What are the key properties of ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate?

ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate has a molecular weight of 484.60 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate is sourced from PubChem (CID 129033606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).