N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide

C37H46N10O11 — CID 59149006

About N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide

N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide (PubChem CID 59149006) has the molecular formula C37H46N10O11 and a molecular weight of 806.83 g/mol. Its IUPAC name is N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide
• PubChem CID: 59149006
• Molecular Formula: C37H46N10O11
• Molecular Weight: 806.83 g/mol
• Exact Mass: 806.33
• IUPAC Name: N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide
• SMILES: C=C1C=CC=C(C(=O)NCCN(CCCCN(CCNC(=O)c2cccc(=O)n2O)CCNC(=O)c2cccc(=O)n2O)CCNC(=O)c2cccc(=O)n2O)N1O
• InChI: InChI=1S/C37H46N10O11/c1-26-8-4-9-27(44(26)55)34(51)38-16-22-42(23-17-39-35(52)28-10-5-13-31(48)45(28)56)20-2-3-21-43(24-18-40-36(53)29-11-6-14-32(49)46(29)57)25-19-41-37(54)30-12-7-15-33(50)47(30)58/h4-15,55-58H,1-3,16-25H2,(H,38,51)(H,39,52)(H,40,53)(H,41,54)
• InChIKey: YFUNVONDKVOHJZ-UHFFFAOYSA-N
• XLogP: -1.37
• TPSA: 273.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	806.83
LogP ≤ 5	-1.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide (CID 59149006) is N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide is C=C1C=CC=C(C(=O)NCCN(CCCCN(CCNC(=O)c2cccc(=O)n2O)CCNC(=O)c2cccc(=O)n2O)CCNC(=O)c2cccc(=O)n2O)N1O.

What is the InChIKey of N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide?

The InChIKey is YFUNVONDKVOHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46N10O11/c1-26-8-4-9-27(44(26)55)34(51)38-16-22-42(23-17-39-35(52)28-10-5-13-31(48)45(28)56)20-2-3-21-43(24-18-40-36(53)29-11-6-14-32(49)46(29)57)25-19-41-37(54)30-12-7-15-33(50)47(30)58/h4-15,55-58H,1-3,16-25H2,(H,38,51)(H,39,52)(H,40,53)(H,41,54).

What are the key properties of N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide?

N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide has a molecular weight of 806.83 g/mol, XLogP of -1.37, 21 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide is sourced from PubChem (CID 59149006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).