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

C12H17N5O3 — CID 103470512

IUPAC6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESCCC1CCN(c2ncc(C(N)=NO)cc2[N+](=O)[O-])C1
InChIInChI=1S/C12H17N5O3/c1-2-8-3-4-16(7-8)12-10(17(19)20)5-9(6-14-12)11(13)15-18/h5-6,8,18H,2-4,7H2,1H3,(H2,13,15)
InChIKeyKIUNKYQNUQHZSP-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.32
Rot. Bonds4

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

6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide (PubChem CID 103470512) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
PubChem CID103470512
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESCCC1CCN(c2ncc(C(N)=NO)cc2[N+](=O)[O-])C1
InChIInChI=1S/C12H17N5O3/c1-2-8-3-4-16(7-8)12-10(17(19)20)5-9(6-14-12)11(13)15-18/h5-6,8,18H,2-4,7H2,1H3,(H2,13,15)
InChIKeyKIUNKYQNUQHZSP-UHFFFAOYSA-N
XLogP1.32
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
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

6-(3-ethylpyrrolidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 113417729
6-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470536
N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide
CID 103470251
6-(3,4-dimethylpiperazin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470430
6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470498
2-(4-ethylpiperidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935223
N'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide
CID 103470225
5-bromo-2-(4-ethylpiperidin-1-yl)-3-nitropyridine
CID 61421763
6-[butyl(cyclopropyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470368
6-(4-carbamoylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81441699
N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide
CID 103470566
6-(3-methylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438369

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The IUPAC name of 6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide (CID 103470512) is 6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for 6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The canonical SMILES for 6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide is CCC1CCN(c2ncc(C(N)=NO)cc2[N+](=O)[O-])C1.
What is the InChIKey of 6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The InChIKey is KIUNKYQNUQHZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-2-8-3-4-16(7-8)12-10(17(19)20)5-9(6-14-12)11(13)15-18/h5-6,8,18H,2-4,7H2,1H3,(H2,13,15).
What are the key properties of 6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide has a molecular weight of 279.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 103470512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).