diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate

C15H20N2O6 — CID 651676

IUPACdiethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate
SMILESCCOC(=O)CCC(NC(=O)c1cncc(O)c1)C(=O)OCC
InChIInChI=1S/C15H20N2O6/c1-3-22-13(19)6-5-12(15(21)23-4-2)17-14(20)10-7-11(18)9-16-8-10/h7-9,12,18H,3-6H2,1-2H3,(H,17,20)
InChIKeyCSNTWDPAZCYDKX-UHFFFAOYSA-N
MW324.33 g/mol
LogP0.79
Rot. Bonds8

About diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate

diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate (PubChem CID 651676) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate.

Molecular Properties

Compound Namediethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate
PubChem CID651676
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Namediethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate
SMILESCCOC(=O)CCC(NC(=O)c1cncc(O)c1)C(=O)OCC
InChIInChI=1S/C15H20N2O6/c1-3-22-13(19)6-5-12(15(21)23-4-2)17-14(20)10-7-11(18)9-16-8-10/h7-9,12,18H,3-6H2,1-2H3,(H,17,20)
InChIKeyCSNTWDPAZCYDKX-UHFFFAOYSA-N
XLogP0.79
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate?
The IUPAC name of diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate (CID 651676) is diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate.
What is the SMILES notation for diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate?
The canonical SMILES for diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate is CCOC(=O)CCC(NC(=O)c1cncc(O)c1)C(=O)OCC.
What is the InChIKey of diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate?
The InChIKey is CSNTWDPAZCYDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-3-22-13(19)6-5-12(15(21)23-4-2)17-14(20)10-7-11(18)9-16-8-10/h7-9,12,18H,3-6H2,1-2H3,(H,17,20).
What are the key properties of diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate?
diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate has a molecular weight of 324.33 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate is sourced from PubChem (CID 651676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).