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

IUPAC6-[[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
InChIInChI=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
InChIKeyYTGRLHMWBDKTGD-BFWBPSQCSA-N
MW429.49 g/mol
LogP0.41
Rot. Bonds12

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 Name6-[[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 CID146289144
Molecular FormulaC20H30FN3O6
Molecular Weight429.49 g/mol
Exact Mass429.22
IUPAC Name6-[[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
InChIInChI=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
InChIKeyYTGRLHMWBDKTGD-BFWBPSQCSA-N
XLogP0.41
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).