6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide

C26H30N6O3 — CID 139581410

About 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide

6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide (PubChem CID 139581410) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide
• PubChem CID: 139581410
• Molecular Formula: C26H30N6O3
• Molecular Weight: 474.57 g/mol
• Exact Mass: 474.24
• IUPAC Name: 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide
• SMILES: COc1ccc(OC2CCN(c3nnc(C(=O)N[C@@H]4CCc5ncccc5C4)cc3C)CC2)cn1
• InChI: InChI=1S/C26H30N6O3/c1-17-14-23(26(33)29-19-5-7-22-18(15-19)4-3-11-27-22)30-31-25(17)32-12-9-20(10-13-32)35-21-6-8-24(34-2)28-16-21/h3-4,6,8,11,14,16,19-20H,5,7,9-10,12-13,15H2,1-2H3,(H,29,33)/t19-/m1/s1
• InChIKey: XSCHIUKNJUWTRK-LJQANCHMSA-N
• XLogP: 2.92
• TPSA: 102.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.57
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide?

The IUPAC name of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide (CID 139581410) is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide?

The canonical SMILES for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide is COc1ccc(OC2CCN(c3nnc(C(=O)N[C@@H]4CCc5ncccc5C4)cc3C)CC2)cn1.

What is the InChIKey of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide?

The InChIKey is XSCHIUKNJUWTRK-LJQANCHMSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-17-14-23(26(33)29-19-5-7-22-18(15-19)4-3-11-27-22)30-31-25(17)32-12-9-20(10-13-32)35-21-6-8-24(34-2)28-16-21/h3-4,6,8,11,14,16,19-20H,5,7,9-10,12-13,15H2,1-2H3,(H,29,33)/t19-/m1/s1.

What are the key properties of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide?

6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 139581410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).