5-hydroxy-N-[2-[(5-hydroxypyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide;hydrochloride

C15H17ClN4O4 — CID 6602543

IUPAC5-hydroxy-N-[2-[(5-hydroxypyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide;hydrochloride
SMILESCC(CNC(=O)c1cncc(O)c1)NC(=O)c1cncc(O)c1.Cl
InChIInChI=1S/C15H16N4O4.ClH/c1-9(19-15(23)11-3-13(21)8-17-6-11)4-18-14(22)10-2-12(20)7-16-5-10;/h2-3,5-9,20-21H,4H2,1H3,(H,18,22)(H,19,23);1H
InChIKeyTZDUFWMWIMLUTN-UHFFFAOYSA-N
MW352.78 g/mol
LogP0.86
Rot. Bonds5

About 5-hydroxy-N-[2-[(5-hydroxypyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide;hydrochloride

5-hydroxy-N-[2-[(5-hydroxypyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 6602543) has the molecular formula C15H17ClN4O4 and a molecular weight of 352.78 g/mol. Its IUPAC name is 5-hydroxy-N-[2-[(5-hydroxypyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-hydroxy-N-[2-[(5-hydroxypyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide;hydrochloride
PubChem CID6602543
Molecular FormulaC15H17ClN4O4
Molecular Weight352.78 g/mol
Exact Mass352.09
IUPAC Name5-hydroxy-N-[2-[(5-hydroxypyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide;hydrochloride
SMILESCC(CNC(=O)c1cncc(O)c1)NC(=O)c1cncc(O)c1.Cl
InChIInChI=1S/C15H16N4O4.ClH/c1-9(19-15(23)11-3-13(21)8-17-6-11)4-18-14(22)10-2-12(20)7-16-5-10;/h2-3,5-9,20-21H,4H2,1H3,(H,18,22)(H,19,23);1H
InChIKeyTZDUFWMWIMLUTN-UHFFFAOYSA-N
XLogP0.86
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[2-[(5-hydroxypyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 5-hydroxy-N-[2-[(5-hydroxypyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide;hydrochloride (CID 6602543) is 5-hydroxy-N-[2-[(5-hydroxypyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-hydroxy-N-[2-[(5-hydroxypyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-hydroxy-N-[2-[(5-hydroxypyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide;hydrochloride is CC(CNC(=O)c1cncc(O)c1)NC(=O)c1cncc(O)c1.Cl.
What is the InChIKey of 5-hydroxy-N-[2-[(5-hydroxypyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is TZDUFWMWIMLUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4.ClH/c1-9(19-15(23)11-3-13(21)8-17-6-11)4-18-14(22)10-2-12(20)7-16-5-10;/h2-3,5-9,20-21H,4H2,1H3,(H,18,22)(H,19,23);1H.
What are the key properties of 5-hydroxy-N-[2-[(5-hydroxypyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide;hydrochloride?
5-hydroxy-N-[2-[(5-hydroxypyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 352.78 g/mol, XLogP of 0.86, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[2-[(5-hydroxypyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 6602543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).