N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide

C22H23N3O5 — CID 163381033

About N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide

N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163381033) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide
• PubChem CID: 163381033
• Molecular Formula: C22H23N3O5
• Molecular Weight: 409.44 g/mol
• Exact Mass: 409.16
• IUPAC Name: N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide
• SMILES: Cc1ccc(COc2ccc3oc(C)c(C(=O)NC4(CO)CCNC4=O)c3c2)cn1
• InChI: InChI=1S/C22H23N3O5/c1-13-3-4-15(10-24-13)11-29-16-5-6-18-17(9-16)19(14(2)30-18)20(27)25-22(12-26)7-8-23-21(22)28/h3-6,9-10,26H,7-8,11-12H2,1-2H3,(H,23,28)(H,25,27)
• InChIKey: VIEOVHIGXRHSMT-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 113.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.44
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide?

The IUPAC name of N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide (CID 163381033) is N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide.

What is the SMILES notation for N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide?

The canonical SMILES for N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide is Cc1ccc(COc2ccc3oc(C)c(C(=O)NC4(CO)CCNC4=O)c3c2)cn1.

What is the InChIKey of N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide?

The InChIKey is VIEOVHIGXRHSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-13-3-4-15(10-24-13)11-29-16-5-6-18-17(9-16)19(14(2)30-18)20(27)25-22(12-26)7-8-23-21(22)28/h3-6,9-10,26H,7-8,11-12H2,1-2H3,(H,23,28)(H,25,27).

What are the key properties of N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide?

N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163381033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).