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

C17H20N4O6 — CID 54691395

IUPAC3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O
InChIInChI=1S/C17H20N4O6/c1-20-8-4-10(12(22)16(20)26)14(24)18-6-3-7-19-15(25)11-5-9-21(2)17(27)13(11)23/h4-5,8-9,22-23H,3,6-7H2,1-2H3,(H,18,24)(H,19,25)
InChIKeyDWDIYTXPHGNEBB-UHFFFAOYSA-N
MW376.37 g/mol
LogP-0.95
Rot. Bonds6

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

3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 54691395) has the molecular formula C17H20N4O6 and a molecular weight of 376.37 g/mol. Its IUPAC name is 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID54691395
Molecular FormulaC17H20N4O6
Molecular Weight376.37 g/mol
Exact Mass376.14
IUPAC Name3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O
InChIInChI=1S/C17H20N4O6/c1-20-8-4-10(12(22)16(20)26)14(24)18-6-3-7-19-15(25)11-5-9-21(2)17(27)13(11)23/h4-5,8-9,22-23H,3,6-7H2,1-2H3,(H,18,24)(H,19,25)
InChIKeyDWDIYTXPHGNEBB-UHFFFAOYSA-N
XLogP-0.95
TPSA142.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 5-0.95
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-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 54691395) is 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)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)amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NCCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O.
What is the InChIKey of 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is DWDIYTXPHGNEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O6/c1-20-8-4-10(12(22)16(20)26)14(24)18-6-3-7-19-15(25)11-5-9-21(2)17(27)13(11)23/h4-5,8-9,22-23H,3,6-7H2,1-2H3,(H,18,24)(H,19,25).
What are the key properties of 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide?
3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 376.37 g/mol, XLogP of -0.95, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 54691395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).