1-butoxy-5-[2-[2-[(1-butoxy-6-carboxy-2-oxopyridine-3-carbonyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethylcarbamoyl]-6-oxopyridine-2-carboxylic acid

C33H49N5O13 — CID 122458495

About 1-butoxy-5-[2-[2-[(1-butoxy-6-carboxy-2-oxopyridine-3-carbonyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethylcarbamoyl]-6-oxopyridine-2-carboxylic acid

1-butoxy-5-[2-[2-[(1-butoxy-6-carboxy-2-oxopyridine-3-carbonyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethylcarbamoyl]-6-oxopyridine-2-carboxylic acid (PubChem CID 122458495) has the molecular formula C33H49N5O13 and a molecular weight of 723.78 g/mol. Its IUPAC name is 1-butoxy-5-[2-[2-[(1-butoxy-6-carboxy-2-oxopyridine-3-carbonyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethylcarbamoyl]-6-oxopyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-butoxy-5-[2-[2-[(1-butoxy-6-carboxy-2-oxopyridine-3-carbonyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethylcarbamoyl]-6-oxopyridine-2-carboxylic acid
• PubChem CID: 122458495
• Molecular Formula: C33H49N5O13
• Molecular Weight: 723.78 g/mol
• Exact Mass: 723.33
• IUPAC Name: 1-butoxy-5-[2-[2-[(1-butoxy-6-carboxy-2-oxopyridine-3-carbonyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethylcarbamoyl]-6-oxopyridine-2-carboxylic acid
• SMILES: CCCCOn1c(C(=O)O)ccc(C(=O)NCCN(CCNC(=O)c2ccc(C(=O)O)n(OCCCC)c2=O)CCOCCOCCOC)c1=O
• InChI: InChI=1S/C33H49N5O13/c1-4-6-17-50-37-26(32(43)44)10-8-24(30(37)41)28(39)34-12-14-36(16-19-48-22-23-49-21-20-47-3)15-13-35-29(40)25-9-11-27(33(45)46)38(31(25)42)51-18-7-5-2/h8-11H,4-7,12-23H2,1-3H3,(H,34,39)(H,35,40)(H,43,44)(H,45,46)
• InChIKey: WWTDDKDAPZSLHE-UHFFFAOYSA-N
• XLogP: 0.01
• TPSA: 226.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 27
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.78
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-5-[2-[2-[(1-butoxy-6-carboxy-2-oxopyridine-3-carbonyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethylcarbamoyl]-6-oxopyridine-2-carboxylic acid?

The IUPAC name of 1-butoxy-5-[2-[2-[(1-butoxy-6-carboxy-2-oxopyridine-3-carbonyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethylcarbamoyl]-6-oxopyridine-2-carboxylic acid (CID 122458495) is 1-butoxy-5-[2-[2-[(1-butoxy-6-carboxy-2-oxopyridine-3-carbonyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethylcarbamoyl]-6-oxopyridine-2-carboxylic acid.

What is the SMILES notation for 1-butoxy-5-[2-[2-[(1-butoxy-6-carboxy-2-oxopyridine-3-carbonyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethylcarbamoyl]-6-oxopyridine-2-carboxylic acid?

The canonical SMILES for 1-butoxy-5-[2-[2-[(1-butoxy-6-carboxy-2-oxopyridine-3-carbonyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethylcarbamoyl]-6-oxopyridine-2-carboxylic acid is CCCCOn1c(C(=O)O)ccc(C(=O)NCCN(CCNC(=O)c2ccc(C(=O)O)n(OCCCC)c2=O)CCOCCOCCOC)c1=O.

What is the InChIKey of 1-butoxy-5-[2-[2-[(1-butoxy-6-carboxy-2-oxopyridine-3-carbonyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethylcarbamoyl]-6-oxopyridine-2-carboxylic acid?

The InChIKey is WWTDDKDAPZSLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H49N5O13/c1-4-6-17-50-37-26(32(43)44)10-8-24(30(37)41)28(39)34-12-14-36(16-19-48-22-23-49-21-20-47-3)15-13-35-29(40)25-9-11-27(33(45)46)38(31(25)42)51-18-7-5-2/h8-11H,4-7,12-23H2,1-3H3,(H,34,39)(H,35,40)(H,43,44)(H,45,46).

What are the key properties of 1-butoxy-5-[2-[2-[(1-butoxy-6-carboxy-2-oxopyridine-3-carbonyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethylcarbamoyl]-6-oxopyridine-2-carboxylic acid?

1-butoxy-5-[2-[2-[(1-butoxy-6-carboxy-2-oxopyridine-3-carbonyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethylcarbamoyl]-6-oxopyridine-2-carboxylic acid has a molecular weight of 723.78 g/mol, XLogP of 0.01, 27 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butoxy-5-[2-[2-[(1-butoxy-6-carboxy-2-oxopyridine-3-carbonyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethylcarbamoyl]-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 122458495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).