N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide

C17H18N2O3 — CID 40855512

About N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide

N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide (PubChem CID 40855512) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
• PubChem CID: 40855512
• Molecular Formula: C17H18N2O3
• Molecular Weight: 298.34 g/mol
• Exact Mass: 298.13
• IUPAC Name: N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
• SMILES: CCOc1cc2c(cc1NC(=O)c1ccccn1)O[C@H](C)C2
• InChI: InChI=1S/C17H18N2O3/c1-3-21-16-9-12-8-11(2)22-15(12)10-14(16)19-17(20)13-6-4-5-7-18-13/h4-7,9-11H,3,8H2,1-2H3,(H,19,20)/t11-/m1/s1
• InChIKey: DDSUBAVDVVOMOL-LLVKDONJSA-N
• XLogP: 3.06
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.34
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide?

The IUPAC name of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide (CID 40855512) is N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide is CCOc1cc2c(cc1NC(=O)c1ccccn1)O[C@H](C)C2.

What is the InChIKey of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide?

The InChIKey is DDSUBAVDVVOMOL-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-21-16-9-12-8-11(2)22-15(12)10-14(16)19-17(20)13-6-4-5-7-18-13/h4-7,9-11H,3,8H2,1-2H3,(H,19,20)/t11-/m1/s1.

What are the key properties of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide?

N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 40855512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).