6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one

C21H26N4O4 — CID 155510191

About 6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one

6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 155510191) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
• PubChem CID: 155510191
• Molecular Formula: C21H26N4O4
• Molecular Weight: 398.46 g/mol
• Exact Mass: 398.20
• IUPAC Name: 6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
• SMILES: Cc1ccc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)c(=O)[nH]1
• InChI: InChI=1S/C21H26N4O4/c1-15-4-5-17(20(26)23-15)21(27)25-9-12-29-18(14-24-7-10-28-11-8-24)19(25)16-3-2-6-22-13-16/h2-6,13,18-19H,7-12,14H2,1H3,(H,23,26)/t18-,19-/m0/s1
• InChIKey: PJUYRFVFWRPFCK-OALUTQOASA-N
• XLogP: 0.99
• TPSA: 87.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.46
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one (CID 155510191) is 6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)c(=O)[nH]1.

What is the InChIKey of 6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one?

The InChIKey is PJUYRFVFWRPFCK-OALUTQOASA-N. The full InChI is InChI=1S/C21H26N4O4/c1-15-4-5-17(20(26)23-15)21(27)25-9-12-29-18(14-24-7-10-28-11-8-24)19(25)16-3-2-6-22-13-16/h2-6,13,18-19H,7-12,14H2,1H3,(H,23,26)/t18-,19-/m0/s1.

What are the key properties of 6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one?

6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 398.46 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 155510191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).