6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide

C20H24N8O3 — CID 135154405

About 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide

6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide (PubChem CID 135154405) has the molecular formula C20H24N8O3 and a molecular weight of 424.47 g/mol. Its IUPAC name is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide
• PubChem CID: 135154405
• Molecular Formula: C20H24N8O3
• Molecular Weight: 424.47 g/mol
• Exact Mass: 424.20
• IUPAC Name: 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide
• SMILES: COc1ccc(OC2CCN(c3nnc(C(=O)NCc4cn[nH]n4)cc3C)CC2)cn1
• InChI: InChI=1S/C20H24N8O3/c1-13-9-17(20(29)22-10-14-11-23-27-24-14)25-26-19(13)28-7-5-15(6-8-28)31-16-3-4-18(30-2)21-12-16/h3-4,9,11-12,15H,5-8,10H2,1-2H3,(H,22,29)(H,23,24,27)
• InChIKey: CANMVLYYYAIVMZ-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 131.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.47
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide?

The IUPAC name of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide (CID 135154405) is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide.

What is the SMILES notation for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide?

The canonical SMILES for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide is COc1ccc(OC2CCN(c3nnc(C(=O)NCc4cn[nH]n4)cc3C)CC2)cn1.

What is the InChIKey of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide?

The InChIKey is CANMVLYYYAIVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O3/c1-13-9-17(20(29)22-10-14-11-23-27-24-14)25-26-19(13)28-7-5-15(6-8-28)31-16-3-4-18(30-2)21-12-16/h3-4,9,11-12,15H,5-8,10H2,1-2H3,(H,22,29)(H,23,24,27).

What are the key properties of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide?

6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 135154405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).