N-[2-[[6-amino-2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]hexanoyl]-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide

C37H52N8O13 — CID 69382371

About N-[2-[[6-amino-2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]hexanoyl]-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide

N-[2-[[6-amino-2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]hexanoyl]-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide (PubChem CID 69382371) has the molecular formula C37H52N8O13 and a molecular weight of 816.87 g/mol. Its IUPAC name is N-[2-[[6-amino-2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]hexanoyl]-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[6-amino-2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]hexanoyl]-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide
• PubChem CID: 69382371
• Molecular Formula: C37H52N8O13
• Molecular Weight: 816.87 g/mol
• Exact Mass: 816.37
• IUPAC Name: N-[2-[[6-amino-2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]hexanoyl]-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide
• SMILES: COCCn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(CCOC)c(=O)c2O)C(=O)C(CCCCN)NC(=O)c2ccn(CCOC)c(=O)c2O)c(O)c1=O
• InChI: InChI=1S/C37H52N8O13/c1-56-21-18-42-13-7-24(28(46)35(42)53)31(49)39-11-16-45(17-12-40-32(50)25-8-14-43(19-22-57-2)36(54)29(25)47)34(52)27(6-4-5-10-38)41-33(51)26-9-15-44(20-23-58-3)37(55)30(26)48/h7-9,13-15,27,46-48H,4-6,10-12,16-23,38H2,1-3H3,(H,39,49)(H,40,50)(H,41,51)
• InChIKey: SDQGDAHDEKPVGJ-UHFFFAOYSA-N
• XLogP: -1.86
• TPSA: 288.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	816.87
LogP ≤ 5	-1.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-amino-2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]hexanoyl]-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide?

The IUPAC name of N-[2-[[6-amino-2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]hexanoyl]-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide (CID 69382371) is N-[2-[[6-amino-2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]hexanoyl]-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide.

What is the SMILES notation for N-[2-[[6-amino-2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]hexanoyl]-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide?

The canonical SMILES for N-[2-[[6-amino-2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]hexanoyl]-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide is COCCn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(CCOC)c(=O)c2O)C(=O)C(CCCCN)NC(=O)c2ccn(CCOC)c(=O)c2O)c(O)c1=O.

What is the InChIKey of N-[2-[[6-amino-2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]hexanoyl]-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide?

The InChIKey is SDQGDAHDEKPVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H52N8O13/c1-56-21-18-42-13-7-24(28(46)35(42)53)31(49)39-11-16-45(17-12-40-32(50)25-8-14-43(19-22-57-2)36(54)29(25)47)34(52)27(6-4-5-10-38)41-33(51)26-9-15-44(20-23-58-3)37(55)30(26)48/h7-9,13-15,27,46-48H,4-6,10-12,16-23,38H2,1-3H3,(H,39,49)(H,40,50)(H,41,51).

What are the key properties of N-[2-[[6-amino-2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]hexanoyl]-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide?

N-[2-[[6-amino-2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]hexanoyl]-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide has a molecular weight of 816.87 g/mol, XLogP of -1.86, 24 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[6-amino-2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]hexanoyl]-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 69382371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).