N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide

C11H15N5O4 — CID 103470251

IUPACN'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide
SMILESNC(=NO)c1cnc(N2CCC(O)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N5O4/c12-10(14-18)7-5-9(16(19)20)11(13-6-7)15-3-1-8(17)2-4-15/h5-6,8,17-18H,1-4H2,(H2,12,14)
InChIKeyZIZFJQBSWQDNMI-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.05
Rot. Bonds3

About N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide

N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide (PubChem CID 103470251) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide
PubChem CID103470251
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC NameN'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide
SMILESNC(=NO)c1cnc(N2CCC(O)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N5O4/c12-10(14-18)7-5-9(16(19)20)11(13-6-7)15-3-1-8(17)2-4-15/h5-6,8,17-18H,1-4H2,(H2,12,14)
InChIKeyZIZFJQBSWQDNMI-UHFFFAOYSA-N
XLogP0.05
TPSA138.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide (CID 103470251) is N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide is NC(=NO)c1cnc(N2CCC(O)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide?
The InChIKey is ZIZFJQBSWQDNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c12-10(14-18)7-5-9(16(19)20)11(13-6-7)15-3-1-8(17)2-4-15/h5-6,8,17-18H,1-4H2,(H2,12,14).
What are the key properties of N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide?
N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide has a molecular weight of 281.27 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 103470251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).