4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide

C21H24N2O6 — CID 175480277

About 4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide

4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 175480277) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is 4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
• PubChem CID: 175480277
• Molecular Formula: C21H24N2O6
• Molecular Weight: 400.43 g/mol
• Exact Mass: 400.16
• IUPAC Name: 4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
• SMILES: COc1ncccc1COc1ccc2oc(C)c(C(N)=O)c2c1C(C)(CO)CO
• InChI: InChI=1S/C21H24N2O6/c1-12-16(19(22)26)17-14(29-12)6-7-15(18(17)21(2,10-24)11-25)28-9-13-5-4-8-23-20(13)27-3/h4-8,24-25H,9-11H2,1-3H3,(H2,22,26)
• InChIKey: KKIGQTRKQWMBJU-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 128.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.43
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?

The IUPAC name of 4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide (CID 175480277) is 4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide.

What is the SMILES notation for 4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?

The canonical SMILES for 4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide is COc1ncccc1COc1ccc2oc(C)c(C(N)=O)c2c1C(C)(CO)CO.

What is the InChIKey of 4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?

The InChIKey is KKIGQTRKQWMBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-12-16(19(22)26)17-14(29-12)6-7-15(18(17)21(2,10-24)11-25)28-9-13-5-4-8-23-20(13)27-3/h4-8,24-25H,9-11H2,1-3H3,(H2,22,26).

What are the key properties of 4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?

4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,3-dihydroxy-2-methylpropan-2-yl)-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175480277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).