3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide

C20H26N4O6 — CID 54711951

IUPAC3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCCCCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O
InChIInChI=1S/C20H26N4O6/c1-23-11-7-13(15(25)19(23)29)17(27)21-9-5-3-4-6-10-22-18(28)14-8-12-24(2)20(30)16(14)26/h7-8,11-12,25-26H,3-6,9-10H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyBDRSIPUFLUTNEN-UHFFFAOYSA-N
MW418.45 g/mol
LogP0.22
Rot. Bonds9

About 3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide

3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 54711951) has the molecular formula C20H26N4O6 and a molecular weight of 418.45 g/mol. Its IUPAC name is 3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID54711951
Molecular FormulaC20H26N4O6
Molecular Weight418.45 g/mol
Exact Mass418.19
IUPAC Name3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCCCCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O
InChIInChI=1S/C20H26N4O6/c1-23-11-7-13(15(25)19(23)29)17(27)21-9-5-3-4-6-10-22-18(28)14-8-12-24(2)20(30)16(14)26/h7-8,11-12,25-26H,3-6,9-10H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyBDRSIPUFLUTNEN-UHFFFAOYSA-N
XLogP0.22
TPSA142.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 54711951) is 3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NCCCCCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O.
What is the InChIKey of 3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is BDRSIPUFLUTNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O6/c1-23-11-7-13(15(25)19(23)29)17(27)21-9-5-3-4-6-10-22-18(28)14-8-12-24(2)20(30)16(14)26/h7-8,11-12,25-26H,3-6,9-10H2,1-2H3,(H,21,27)(H,22,28).
What are the key properties of 3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide?
3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 0.22, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 54711951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).