6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide

C23H31N5O3 — CID 135154077

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

6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide (PubChem CID 135154077) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide
• PubChem CID: 135154077
• Molecular Formula: C23H31N5O3
• Molecular Weight: 425.53 g/mol
• Exact Mass: 425.24
• IUPAC Name: 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide
• SMILES: COc1ccc(OC2CCN(c3nnc(C(=O)NC4(C)CCCC4)cc3C)CC2)cn1
• InChI: InChI=1S/C23H31N5O3/c1-16-14-19(22(29)25-23(2)10-4-5-11-23)26-27-21(16)28-12-8-17(9-13-28)31-18-6-7-20(30-3)24-15-18/h6-7,14-15,17H,4-5,8-13H2,1-3H3,(H,25,29)
• InChIKey: LTMOZMCKBKGTDE-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.53
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide (CID 135154077) is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide.

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

The canonical SMILES for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide is COc1ccc(OC2CCN(c3nnc(C(=O)NC4(C)CCCC4)cc3C)CC2)cn1.

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

The InChIKey is LTMOZMCKBKGTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-16-14-19(22(29)25-23(2)10-4-5-11-23)26-27-21(16)28-12-8-17(9-13-28)31-18-6-7-20(30-3)24-15-18/h6-7,14-15,17H,4-5,8-13H2,1-3H3,(H,25,29).

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

6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-(1-methylcyclopentyl)pyridazine-3-carboxamide is sourced from PubChem (CID 135154077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).