2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone

C25H26N4O4 — CID 124960863

About 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone

2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 124960863) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone
• PubChem CID: 124960863
• Molecular Formula: C25H26N4O4
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.20
• IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone
• SMILES: Cc1cccc(Nc2cc(C)nc([C@H]3CN(C(=O)c4ccc5c(c4)OCCO5)CCO3)c2)n1
• InChI: InChI=1S/C25H26N4O4/c1-16-4-3-5-24(27-16)28-19-12-17(2)26-20(14-19)23-15-29(8-9-31-23)25(30)18-6-7-21-22(13-18)33-11-10-32-21/h3-7,12-14,23H,8-11,15H2,1-2H3,(H,26,27,28)/t23-/m1/s1
• InChIKey: GXLATHHCQSVRMC-HSZRJFAPSA-N
• XLogP: 3.82
• TPSA: 85.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone?

The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone (CID 124960863) is 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone.

What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone?

The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone is Cc1cccc(Nc2cc(C)nc([C@H]3CN(C(=O)c4ccc5c(c4)OCCO5)CCO3)c2)n1.

What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone?

The InChIKey is GXLATHHCQSVRMC-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-16-4-3-5-24(27-16)28-19-12-17(2)26-20(14-19)23-15-29(8-9-31-23)25(30)18-6-7-21-22(13-18)33-11-10-32-21/h3-7,12-14,23H,8-11,15H2,1-2H3,(H,26,27,28)/t23-/m1/s1.

What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone?

2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 446.51 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 124960863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).