3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one

C22H35N3O3 — CID 71703612

About 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one

3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one (PubChem CID 71703612) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one.

Molecular Properties

• Compound Name: 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one
• PubChem CID: 71703612
• Molecular Formula: C22H35N3O3
• Molecular Weight: 389.54 g/mol
• Exact Mass: 389.27
• IUPAC Name: 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one
• SMILES: Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CC2(C)CC1CC(C)(C)C2
• InChI: InChI=1S/C22H35N3O3/c1-21(2)10-17-11-22(3,14-21)15-25(17)13-18-20(27)19(26)9-16(23(18)4)12-24-5-7-28-8-6-24/h9,17,27H,5-8,10-15H2,1-4H3
• InChIKey: LZRJPMXVUMQKJB-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 57.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.54
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one?

The IUPAC name of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one (CID 71703612) is 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one.

What is the SMILES notation for 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one?

The canonical SMILES for 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one is Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CC2(C)CC1CC(C)(C)C2.

What is the InChIKey of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one?

The InChIKey is LZRJPMXVUMQKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-21(2)10-17-11-22(3,14-21)15-25(17)13-18-20(27)19(26)9-16(23(18)4)12-24-5-7-28-8-6-24/h9,17,27H,5-8,10-15H2,1-4H3.

What are the key properties of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one?

3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one has a molecular weight of 389.54 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one is sourced from PubChem (CID 71703612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).