3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide

C38H46N8O12 — CID 121426808

About 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide

3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 121426808) has the molecular formula C38H46N8O12 and a molecular weight of 806.83 g/mol. Its IUPAC name is 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide
• PubChem CID: 121426808
• Molecular Formula: C38H46N8O12
• Molecular Weight: 806.83 g/mol
• Exact Mass: 806.32
• IUPAC Name: 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide
• SMILES: CC(CN(CCCNC(=O)c1ccn(C)c(=O)c1O)C(=O)c1ccn(C)c(=O)c1O)CN(CCCNC(=O)c1ccn(C)c(=O)c1O)C(=O)c1ccn(C)c(=O)c1O
• InChI: InChI=1S/C38H46N8O12/c1-22(20-45(33(53)25-10-18-43(4)37(57)29(25)49)14-6-12-39-31(51)23-8-16-41(2)35(55)27(23)47)21-46(34(54)26-11-19-44(5)38(58)30(26)50)15-7-13-40-32(52)24-9-17-42(3)36(56)28(24)48/h8-11,16-19,22,47-50H,6-7,12-15,20-21H2,1-5H3,(H,39,51)(H,40,52)
• InChIKey: LRPGZKALWXFZHT-UHFFFAOYSA-N
• XLogP: -0.84
• TPSA: 267.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	806.83
LogP ≤ 5	-0.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide?

The IUPAC name of 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 121426808) is 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide.

What is the SMILES notation for 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide?

The canonical SMILES for 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide is CC(CN(CCCNC(=O)c1ccn(C)c(=O)c1O)C(=O)c1ccn(C)c(=O)c1O)CN(CCCNC(=O)c1ccn(C)c(=O)c1O)C(=O)c1ccn(C)c(=O)c1O.

What is the InChIKey of 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide?

The InChIKey is LRPGZKALWXFZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N8O12/c1-22(20-45(33(53)25-10-18-43(4)37(57)29(25)49)14-6-12-39-31(51)23-8-16-41(2)35(55)27(23)47)21-46(34(54)26-11-19-44(5)38(58)30(26)50)15-7-13-40-32(52)24-9-17-42(3)36(56)28(24)48/h8-11,16-19,22,47-50H,6-7,12-15,20-21H2,1-5H3,(H,39,51)(H,40,52).

What are the key properties of 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide?

3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 806.83 g/mol, XLogP of -0.84, 16 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 121426808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).