4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one

C21H29N3O3 — CID 54692670

About 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one (PubChem CID 54692670) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one
• PubChem CID: 54692670
• Molecular Formula: C21H29N3O3
• Molecular Weight: 371.48 g/mol
• Exact Mass: 371.22
• IUPAC Name: 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one
• SMILES: COCCn1c(C)cc(O)c(C(c2cccnc2)N2CCC(C)CC2)c1=O
• InChI: InChI=1S/C21H29N3O3/c1-15-6-9-23(10-7-15)20(17-5-4-8-22-14-17)19-18(25)13-16(2)24(21(19)26)11-12-27-3/h4-5,8,13-15,20,25H,6-7,9-12H2,1-3H3
• InChIKey: KDNAAQDWKNZHNM-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 67.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.48
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one?

The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one (CID 54692670) is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one.

What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one?

The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one is COCCn1c(C)cc(O)c(C(c2cccnc2)N2CCC(C)CC2)c1=O.

What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one?

The InChIKey is KDNAAQDWKNZHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15-6-9-23(10-7-15)20(17-5-4-8-22-14-17)19-18(25)13-16(2)24(21(19)26)11-12-27-3/h4-5,8,13-15,20,25H,6-7,9-12H2,1-3H3.

What are the key properties of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one?

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one has a molecular weight of 371.48 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one is sourced from PubChem (CID 54692670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).