7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one

C20H21N3O4 — CID 135154104

About 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one

7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one (PubChem CID 135154104) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one.

Molecular Properties

• Compound Name: 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one
• PubChem CID: 135154104
• Molecular Formula: C20H21N3O4
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.15
• IUPAC Name: 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one
• SMILES: COc1ccc(OC2CCN(c3nc4occc(=O)c4cc3C)CC2)cn1
• InChI: InChI=1S/C20H21N3O4/c1-13-11-16-17(24)7-10-26-20(16)22-19(13)23-8-5-14(6-9-23)27-15-3-4-18(25-2)21-12-15/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3
• InChIKey: UJKMZIZDSMIGTE-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 77.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one?

The IUPAC name of 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one (CID 135154104) is 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one.

What is the SMILES notation for 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one?

The canonical SMILES for 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one is COc1ccc(OC2CCN(c3nc4occc(=O)c4cc3C)CC2)cn1.

What is the InChIKey of 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one?

The InChIKey is UJKMZIZDSMIGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-11-16-17(24)7-10-26-20(16)22-19(13)23-8-5-14(6-9-23)27-15-3-4-18(25-2)21-12-15/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3.

What are the key properties of 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one?

7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one has a molecular weight of 367.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 135154104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).