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

C15H21ClN2O6 — CID 6602761

IUPACdiethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate;hydrochloride
SMILESCCOC(=O)CCC(NC(=O)c1cncc(O)c1)C(=O)OCC.Cl
InChIInChI=1S/C15H20N2O6.ClH/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);1H
InChIKeyQZEUTIXFAYFTFV-UHFFFAOYSA-N
MW360.79 g/mol
LogP1.21
Rot. Bonds8

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

diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate;hydrochloride (PubChem CID 6602761) has the molecular formula C15H21ClN2O6 and a molecular weight of 360.79 g/mol. Its IUPAC name is diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate;hydrochloride.

Molecular Properties

Compound Namediethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate;hydrochloride
PubChem CID6602761
Molecular FormulaC15H21ClN2O6
Molecular Weight360.79 g/mol
Exact Mass360.11
IUPAC Namediethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate;hydrochloride
SMILESCCOC(=O)CCC(NC(=O)c1cncc(O)c1)C(=O)OCC.Cl
InChIInChI=1S/C15H20N2O6.ClH/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);1H
InChIKeyQZEUTIXFAYFTFV-UHFFFAOYSA-N
XLogP1.21
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.79
LogP ≤ 51.21
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;hydrochloride?
The IUPAC name of diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate;hydrochloride (CID 6602761) is diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate;hydrochloride.
What is the SMILES notation for diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate;hydrochloride?
The canonical SMILES for diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate;hydrochloride is CCOC(=O)CCC(NC(=O)c1cncc(O)c1)C(=O)OCC.Cl.
What is the InChIKey of diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate;hydrochloride?
The InChIKey is QZEUTIXFAYFTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6.ClH/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);1H.
What are the key properties of diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate;hydrochloride?
diethyl 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioate;hydrochloride has a molecular weight of 360.79 g/mol, XLogP of 1.21, 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;hydrochloride is sourced from PubChem (CID 6602761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).