N'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide

C12H19N5O3 — CID 76935186

IUPACN'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide
SMILESCCCCCN(C)c1ncc([N+](=O)[O-])cc1C(N)=NO
InChIInChI=1S/C12H19N5O3/c1-3-4-5-6-16(2)12-10(11(13)15-18)7-9(8-14-12)17(19)20/h7-8,18H,3-6H2,1-2H3,(H2,13,15)
InChIKeyIONIFIJMJDWHGL-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.71
Rot. Bonds7

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

N'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide (PubChem CID 76935186) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide
PubChem CID76935186
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC NameN'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide
SMILESCCCCCN(C)c1ncc([N+](=O)[O-])cc1C(N)=NO
InChIInChI=1S/C12H19N5O3/c1-3-4-5-6-16(2)12-10(11(13)15-18)7-9(8-14-12)17(19)20/h7-8,18H,3-6H2,1-2H3,(H2,13,15)
InChIKeyIONIFIJMJDWHGL-UHFFFAOYSA-N
XLogP1.71
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

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Related Compounds

2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 77017344
N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide
CID 103954983
N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carboximidamide
CID 55060974
N'-hydroxy-2-[methyl(2-methylbutyl)amino]-5-nitropyridine-3-carboximidamide
CID 76935187
N'-hydroxy-2-[3-hydroxypropyl(propan-2-yl)amino]-5-nitropyridine-3-carboximidamide
CID 76935259
N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]-5-nitropyridine-3-carboximidamide
CID 62099214
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 107398959
2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935257
N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide
CID 103470281
5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide
CID 61358598
2-butan-2-ylsulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935115
N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916593

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide (CID 76935186) is N'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide is CCCCCN(C)c1ncc([N+](=O)[O-])cc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide?
The InChIKey is IONIFIJMJDWHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-3-4-5-6-16(2)12-10(11(13)15-18)7-9(8-14-12)17(19)20/h7-8,18H,3-6H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide?
N'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide has a molecular weight of 281.32 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 76935186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).