2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide

C20H23N3O3 — CID 120800256

About 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide

2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide (PubChem CID 120800256) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

• Compound Name: 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide
• PubChem CID: 120800256
• Molecular Formula: C20H23N3O3
• Molecular Weight: 353.42 g/mol
• Exact Mass: 353.17
• IUPAC Name: 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide
• SMILES: NC(C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1)C1CCOCC1
• InChI: InChI=1S/C20H23N3O3/c21-19(13-6-9-25-10-7-13)20(24)23-18-3-1-2-16(22-18)14-4-5-17-15(12-14)8-11-26-17/h1-5,12-13,19H,6-11,21H2,(H,22,23,24)
• InChIKey: FZXSGLDHNWJHDS-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 86.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.42
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide?

The IUPAC name of 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide (CID 120800256) is 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide.

What is the SMILES notation for 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide?

The canonical SMILES for 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide is NC(C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1)C1CCOCC1.

What is the InChIKey of 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide?

The InChIKey is FZXSGLDHNWJHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c21-19(13-6-9-25-10-7-13)20(24)23-18-3-1-2-16(22-18)14-4-5-17-15(12-14)8-11-26-17/h1-5,12-13,19H,6-11,21H2,(H,22,23,24).

What are the key properties of 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide?

2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120800256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).