N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide

C12H17N5O3 — CID 76934954

IUPACN'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide
SMILESCC1CCN(c2ncc([N+](=O)[O-])cc2C(N)=NO)CC1
InChIInChI=1S/C12H17N5O3/c1-8-2-4-16(5-3-8)12-10(11(13)15-18)6-9(7-14-12)17(19)20/h6-8,18H,2-5H2,1H3,(H2,13,15)
InChIKeyYYCFBLLYPIQKLF-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.32
Rot. Bonds3

About N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide

N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide (PubChem CID 76934954) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide
PubChem CID76934954
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC NameN'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide
SMILESCC1CCN(c2ncc([N+](=O)[O-])cc2C(N)=NO)CC1
InChIInChI=1S/C12H17N5O3/c1-8-2-4-16(5-3-8)12-10(11(13)15-18)6-9(7-14-12)17(19)20/h6-8,18H,2-5H2,1H3,(H2,13,15)
InChIKeyYYCFBLLYPIQKLF-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
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

2-(4-ethylpiperidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935223
N'-hydroxy-5-nitro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboximidamide
CID 77135910
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 83219682
2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133363039
N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide
CID 76935233
2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935236
1-(3-carbamoyl-5-nitro-2-pyridinyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776402
2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280056
1-(3-methyl-5-nitro-2-pyridinyl)piperidin-4-ol
CID 62477755
1-(3-carbamoyl-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371889
N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide
CID 103470251
N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitrobenzenecarboximidamide
CID 102958217

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide (CID 76934954) is N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide is CC1CCN(c2ncc([N+](=O)[O-])cc2C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide?
The InChIKey is YYCFBLLYPIQKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-8-2-4-16(5-3-8)12-10(11(13)15-18)6-9(7-14-12)17(19)20/h6-8,18H,2-5H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide?
N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide has a molecular weight of 279.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 76934954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).