Ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate

C₂₁H₂₆N₄O₄ — CID 109154207

About Ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate

Ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate (PubChem CID 109154207) has the molecular formula C₂₁H₂₆N₄O₄ and a molecular weight of 398.46 g/mol. Its IUPAC name is ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate.

Molecular Properties

• Compound Name: Ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate
• PubChem CID: 109154207
• Molecular Formula: C₂₁H₂₆N₄O₄
• Molecular Weight: 398.46 g/mol
• Exact Mass: 398.20
• IUPAC Name: ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate
• SMILES: CCOC(=O)c1ccccc1Nc1ccc(C(=O)NCCN2CCOCC2)cn1
• InChI: InChI=1S/C21H26N4O4/c1-2-29-21(27)17-5-3-4-6-18(17)24-19-8-7-16(15-23-19)20(26)22-9-10-25-11-13-28-14-12-25/h3-8,15H,2,9-14H2,1H3,(H,22,26)(H,23,24)
• InChIKey: OTUVMTMUEGHOQR-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.46
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate?

The IUPAC name of Ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate (CID 109154207) is ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate.

What is the SMILES notation for Ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate?

The canonical SMILES for Ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(C(=O)NCCN2CCOCC2)cn1.

What is the InChIKey of Ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate?

The InChIKey is OTUVMTMUEGHOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-2-29-21(27)17-5-3-4-6-18(17)24-19-8-7-16(15-23-19)20(26)22-9-10-25-11-13-28-14-12-25/h3-8,15H,2,9-14H2,1H3,(H,22,26)(H,23,24).

What are the key properties of Ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate?

Ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate has a molecular weight of 398.46 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109154207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 109154207 — identifiers, structure, computed properties (public domain)

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