N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide

C12H16N4O2 — CID 77005324

IUPACN'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide
SMILESCC1CCCN1C(=O)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C12H16N4O2/c1-8-3-2-6-16(8)12(17)10-5-4-9(7-14-10)11(13)15-18/h4-5,7-8,18H,2-3,6H2,1H3,(H2,13,15)
InChIKeyAJMLOXPUAOAJBF-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.80
Rot. Bonds2

About N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide

N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide (PubChem CID 77005324) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide
PubChem CID77005324
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide
SMILESCC1CCCN1C(=O)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C12H16N4O2/c1-8-3-2-6-16(8)12(17)10-5-4-9(7-14-10)11(13)15-18/h4-5,7-8,18H,2-3,6H2,1H3,(H2,13,15)
InChIKeyAJMLOXPUAOAJBF-UHFFFAOYSA-N
XLogP0.80
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
N'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide
CID 102784290
6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide
CID 77005377
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885
(6-amino-3-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 62151940
6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748326
(5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 104642325
(6-methyl-3-pyridinyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 10058742
N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24711133
5-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 77005250
6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide
CID 81465067
6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide
CID 63747788

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide (CID 77005324) is N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide is CC1CCCN1C(=O)c1ccc(C(N)=NO)cn1.
What is the InChIKey of N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide?
The InChIKey is AJMLOXPUAOAJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-3-2-6-16(8)12(17)10-5-4-9(7-14-10)11(13)15-18/h4-5,7-8,18H,2-3,6H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide?
N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide has a molecular weight of 248.29 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide is sourced from PubChem (CID 77005324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).