6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide

C12H19N5O3 — CID 103470406

IUPAC6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESCN(CC(C)(C)C)c1ncc(C(N)=NO)cc1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O3/c1-12(2,3)7-16(4)11-9(17(19)20)5-8(6-14-11)10(13)15-18/h5-6,18H,7H2,1-4H3,(H2,13,15)
InChIKeyGKMMNLYVWGPAAH-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.57
Rot. Bonds4

About 6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide

6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide (PubChem CID 103470406) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
PubChem CID103470406
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESCN(CC(C)(C)C)c1ncc(C(N)=NO)cc1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O3/c1-12(2,3)7-16(4)11-9(17(19)20)5-8(6-14-11)10(13)15-18/h5-6,18H,7H2,1-4H3,(H2,13,15)
InChIKeyGKMMNLYVWGPAAH-UHFFFAOYSA-N
XLogP1.57
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.57
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

N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide
CID 103470281
6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470370
6-[butyl(cyclopropyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470368
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 107480069
6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768970
N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 103470634
6-[methyl(2-methylprop-2-enyl)amino]-5-nitropyridine-3-carboxylic acid
CID 113498631
N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide
CID 103470566
N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide
CID 103470251
6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103488543
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 79377667
6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-5-nitropyridine-3-carboxylic acid
CID 81447197

Frequently Asked Questions

What is the IUPAC name of 6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The IUPAC name of 6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide (CID 103470406) is 6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for 6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The canonical SMILES for 6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide is CN(CC(C)(C)C)c1ncc(C(N)=NO)cc1[N+](=O)[O-].
What is the InChIKey of 6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The InChIKey is GKMMNLYVWGPAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-12(2,3)7-16(4)11-9(17(19)20)5-8(6-14-11)10(13)15-18/h5-6,18H,7H2,1-4H3,(H2,13,15).
What are the key properties of 6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide?
6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide has a molecular weight of 281.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 103470406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).