6-[[3-[(2,2-dideuterio-2-fluoroethoxy)methyl]oxetan-3-yl]methoxy]-N-(1-hydroxypropan-2-yl)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide

C20H30FN3O6 — CID 146289144

About 6-[[3-[(2,2-dideuterio-2-fluoroethoxy)methyl]oxetan-3-yl]methoxy]-N-(1-hydroxypropan-2-yl)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide

6-[[3-[(2,2-dideuterio-2-fluoroethoxy)methyl]oxetan-3-yl]methoxy]-N-(1-hydroxypropan-2-yl)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide (PubChem CID 146289144) has the molecular formula C20H30FN3O6 and a molecular weight of 429.49 g/mol. Its IUPAC name is 6-[[3-[(2,2-dideuterio-2-fluoroethoxy)methyl]oxetan-3-yl]methoxy]-N-(1-hydroxypropan-2-yl)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[[3-[(2,2-dideuterio-2-fluoroethoxy)methyl]oxetan-3-yl]methoxy]-N-(1-hydroxypropan-2-yl)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
• PubChem CID: 146289144
• Molecular Formula: C20H30FN3O6
• Molecular Weight: 429.49 g/mol
• Exact Mass: 429.22
• IUPAC Name: 6-[[3-[(2,2-dideuterio-2-fluoroethoxy)methyl]oxetan-3-yl]methoxy]-N-(1-hydroxypropan-2-yl)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
• SMILES: [2H]C([2H])(F)COCC1(COc2nc(C(=O)NC(C)CO)ccc2N2CC(OC)C2)COC1
• InChI: InChI=1S/C20H30FN3O6/c1-14(9-25)22-18(26)16-3-4-17(24-7-15(8-24)27-2)19(23-16)30-13-20(11-29-12-20)10-28-6-5-21/h3-4,14-15,25H,5-13H2,1-2H3,(H,22,26)/i5D2
• InChIKey: YTGRLHMWBDKTGD-BFWBPSQCSA-N
• XLogP: 0.41
• TPSA: 102.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.49
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[(2,2-dideuterio-2-fluoroethoxy)methyl]oxetan-3-yl]methoxy]-N-(1-hydroxypropan-2-yl)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide?

The IUPAC name of 6-[[3-[(2,2-dideuterio-2-fluoroethoxy)methyl]oxetan-3-yl]methoxy]-N-(1-hydroxypropan-2-yl)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide (CID 146289144) is 6-[[3-[(2,2-dideuterio-2-fluoroethoxy)methyl]oxetan-3-yl]methoxy]-N-(1-hydroxypropan-2-yl)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide.

What is the SMILES notation for 6-[[3-[(2,2-dideuterio-2-fluoroethoxy)methyl]oxetan-3-yl]methoxy]-N-(1-hydroxypropan-2-yl)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide?

The canonical SMILES for 6-[[3-[(2,2-dideuterio-2-fluoroethoxy)methyl]oxetan-3-yl]methoxy]-N-(1-hydroxypropan-2-yl)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide is [2H]C([2H])(F)COCC1(COc2nc(C(=O)NC(C)CO)ccc2N2CC(OC)C2)COC1.

What is the InChIKey of 6-[[3-[(2,2-dideuterio-2-fluoroethoxy)methyl]oxetan-3-yl]methoxy]-N-(1-hydroxypropan-2-yl)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide?

The InChIKey is YTGRLHMWBDKTGD-BFWBPSQCSA-N. The full InChI is InChI=1S/C20H30FN3O6/c1-14(9-25)22-18(26)16-3-4-17(24-7-15(8-24)27-2)19(23-16)30-13-20(11-29-12-20)10-28-6-5-21/h3-4,14-15,25H,5-13H2,1-2H3,(H,22,26)/i5D2.

What are the key properties of 6-[[3-[(2,2-dideuterio-2-fluoroethoxy)methyl]oxetan-3-yl]methoxy]-N-(1-hydroxypropan-2-yl)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide?

6-[[3-[(2,2-dideuterio-2-fluoroethoxy)methyl]oxetan-3-yl]methoxy]-N-(1-hydroxypropan-2-yl)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide has a molecular weight of 429.49 g/mol, XLogP of 0.41, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-[(2,2-dideuterio-2-fluoroethoxy)methyl]oxetan-3-yl]methoxy]-N-(1-hydroxypropan-2-yl)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 146289144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).