3-(5-ethoxy-3-pyridinyl)-3-[3-[3-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid

C29H35N5O5 — CID 19363620

About 3-(5-ethoxy-3-pyridinyl)-3-[3-[3-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid

3-(5-ethoxy-3-pyridinyl)-3-[3-[3-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid (PubChem CID 19363620) has the molecular formula C29H35N5O5 and a molecular weight of 533.63 g/mol. Its IUPAC name is 3-(5-ethoxy-3-pyridinyl)-3-[3-[3-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-(5-ethoxy-3-pyridinyl)-3-[3-[3-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid
• PubChem CID: 19363620
• Molecular Formula: C29H35N5O5
• Molecular Weight: 533.63 g/mol
• Exact Mass: 533.26
• IUPAC Name: 3-(5-ethoxy-3-pyridinyl)-3-[3-[3-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid
• SMILES: CCOc1cncc(C(CC(=O)O)N2CCN(CCCc3cccc(NCc4ccc(OC)cc4)n3)C2=O)c1
• InChI: InChI=1S/C29H35N5O5/c1-3-39-25-16-22(19-30-20-25)26(17-28(35)36)34-15-14-33(29(34)37)13-5-7-23-6-4-8-27(32-23)31-18-21-9-11-24(38-2)12-10-21/h4,6,8-12,16,19-20,26H,3,5,7,13-15,17-18H2,1-2H3,(H,31,32)(H,35,36)
• InChIKey: RZLVWGQNLIKNJK-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 117.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.63
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-3-pyridinyl)-3-[3-[3-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid?

The IUPAC name of 3-(5-ethoxy-3-pyridinyl)-3-[3-[3-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid (CID 19363620) is 3-(5-ethoxy-3-pyridinyl)-3-[3-[3-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid.

What is the SMILES notation for 3-(5-ethoxy-3-pyridinyl)-3-[3-[3-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid?

The canonical SMILES for 3-(5-ethoxy-3-pyridinyl)-3-[3-[3-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid is CCOc1cncc(C(CC(=O)O)N2CCN(CCCc3cccc(NCc4ccc(OC)cc4)n3)C2=O)c1.

What is the InChIKey of 3-(5-ethoxy-3-pyridinyl)-3-[3-[3-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid?

The InChIKey is RZLVWGQNLIKNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O5/c1-3-39-25-16-22(19-30-20-25)26(17-28(35)36)34-15-14-33(29(34)37)13-5-7-23-6-4-8-27(32-23)31-18-21-9-11-24(38-2)12-10-21/h4,6,8-12,16,19-20,26H,3,5,7,13-15,17-18H2,1-2H3,(H,31,32)(H,35,36).

What are the key properties of 3-(5-ethoxy-3-pyridinyl)-3-[3-[3-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid?

3-(5-ethoxy-3-pyridinyl)-3-[3-[3-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid has a molecular weight of 533.63 g/mol, XLogP of 4.38, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-ethoxy-3-pyridinyl)-3-[3-[3-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 19363620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).