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

C13H19N5O3 — CID 103470498

IUPAC6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESCCC1CCC(C)N1c1ncc(C(N)=NO)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N5O3/c1-3-10-5-4-8(2)17(10)13-11(18(20)21)6-9(7-15-13)12(14)16-19/h6-8,10,19H,3-5H2,1-2H3,(H2,14,16)
InChIKeyOYELZIMGALNNPA-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.85
Rot. Bonds4

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

6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide (PubChem CID 103470498) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
PubChem CID103470498
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESCCC1CCC(C)N1c1ncc(C(N)=NO)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N5O3/c1-3-10-5-4-8(2)17(10)13-11(18(20)21)6-9(7-15-13)12(14)16-19/h6-8,10,19H,3-5H2,1-2H3,(H2,14,16)
InChIKeyOYELZIMGALNNPA-UHFFFAOYSA-N
XLogP1.85
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.85
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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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The IUPAC name of 6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide (CID 103470498) is 6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for 6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The canonical SMILES for 6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide is CCC1CCC(C)N1c1ncc(C(N)=NO)cc1[N+](=O)[O-].
What is the InChIKey of 6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The InChIKey is OYELZIMGALNNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-3-10-5-4-8(2)17(10)13-11(18(20)21)6-9(7-15-13)12(14)16-19/h6-8,10,19H,3-5H2,1-2H3,(H2,14,16).
What are the key properties of 6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide has a molecular weight of 293.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 103470498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).