N'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide

C12H17N5O3 — CID 103470225

IUPACN'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide
SMILESCC1CCCCN1c1ncc(C(N)=NO)cc1[N+](=O)[O-]
InChIInChI=1S/C12H17N5O3/c1-8-4-2-3-5-16(8)12-10(17(19)20)6-9(7-14-12)11(13)15-18/h6-8,18H,2-5H2,1H3,(H2,13,15)
InChIKeyFSDGEIGTTQMJGI-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.46
Rot. Bonds3

About N'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide

N'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide (PubChem CID 103470225) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide
PubChem CID103470225
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC NameN'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide
SMILESCC1CCCCN1c1ncc(C(N)=NO)cc1[N+](=O)[O-]
InChIInChI=1S/C12H17N5O3/c1-8-4-2-3-5-16(8)12-10(17(19)20)6-9(7-14-12)11(13)15-18/h6-8,18H,2-5H2,1H3,(H2,13,15)
InChIKeyFSDGEIGTTQMJGI-UHFFFAOYSA-N
XLogP1.46
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81437895
6-(3,4-dimethylpiperazin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470430
N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide
CID 103470251
6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470498
6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470512
N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24711133
6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-nitropyridine-3-carboxylic acid
CID 104967597
6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470536
N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide
CID 103470566
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid
CID 81438512
N'-hydroxy-6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyridine-3-carboximidamide
CID 107749603
6-[butyl(cyclopropyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470368

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide (CID 103470225) is N'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide is CC1CCCCN1c1ncc(C(N)=NO)cc1[N+](=O)[O-].
What is the InChIKey of N'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide?
The InChIKey is FSDGEIGTTQMJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-8-4-2-3-5-16(8)12-10(17(19)20)6-9(7-14-12)11(13)15-18/h6-8,18H,2-5H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide?
N'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide has a molecular weight of 279.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 103470225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).