N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[3-[[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carboxamide

C47H60N10O16 — CID 135209123

About N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[3-[[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carboxamide

N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[3-[[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carboxamide (PubChem CID 135209123) has the molecular formula C47H60N10O16 and a molecular weight of 1021.05 g/mol. Its IUPAC name is N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[3-[[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[3-[[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 135209123
• Molecular Formula: C47H60N10O16
• Molecular Weight: 1021.05 g/mol
• Exact Mass: 1020.42
• IUPAC Name: N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[3-[[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carboxamide
• SMILES: CC(C)C(=O)c1ccc(C(=O)NCCCN(CCCC(C(=O)NCCOCCN)N(CCCNC(=O)c2ccc(C(=O)C(C)C)n(O)c2=O)C(=O)c2cccc(=O)n2O)C(=O)c2cccc(=O)n2O)c(=O)n1O
• InChI: InChI=1S/C47H60N10O16/c1-28(2)39(60)32-17-15-30(44(65)56(32)71)41(62)49-20-8-24-52(46(67)35-10-5-13-37(58)54(35)69)23-7-12-34(43(64)51-22-27-73-26-19-48)53(47(68)36-11-6-14-38(59)55(36)70)25-9-21-50-42(63)31-16-18-33(40(61)29(3)4)57(72)45(31)66/h5-6,10-11,13-18,28-29,34,69-72H,7-9,12,19-27,48H2,1-4H3,(H,49,62)(H,50,63)(H,51,64)
• InChIKey: ZZVLAHGDSRUUOX-UHFFFAOYSA-N
• XLogP: -0.57
• TPSA: 366.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 27
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1021.05
LogP ≤ 5	-0.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

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-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[3-[[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[3-[[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carboxamide (CID 135209123) is N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[3-[[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[3-[[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[3-[[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carboxamide is CC(C)C(=O)c1ccc(C(=O)NCCCN(CCCC(C(=O)NCCOCCN)N(CCCNC(=O)c2ccc(C(=O)C(C)C)n(O)c2=O)C(=O)c2cccc(=O)n2O)C(=O)c2cccc(=O)n2O)c(=O)n1O.

What is the InChIKey of N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[3-[[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carboxamide?

The InChIKey is ZZVLAHGDSRUUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H60N10O16/c1-28(2)39(60)32-17-15-30(44(65)56(32)71)41(62)49-20-8-24-52(46(67)35-10-5-13-37(58)54(35)69)23-7-12-34(43(64)51-22-27-73-26-19-48)53(47(68)36-11-6-14-38(59)55(36)70)25-9-21-50-42(63)31-16-18-33(40(61)29(3)4)57(72)45(31)66/h5-6,10-11,13-18,28-29,34,69-72H,7-9,12,19-27,48H2,1-4H3,(H,49,62)(H,50,63)(H,51,64).

What are the key properties of N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[3-[[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carboxamide?

N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[3-[[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carboxamide has a molecular weight of 1021.05 g/mol, XLogP of -0.57, 27 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[3-[[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 135209123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).