N'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide

C13H20N4O — CID 136914286

IUPACN'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide
SMILESCCCC1CCN(c2cc(/C(N)=N/O)ccn2)C1
InChIInChI=1S/C13H20N4O/c1-2-3-10-5-7-17(9-10)12-8-11(4-6-15-12)13(14)16-18/h4,6,8,10,18H,2-3,5,7,9H2,1H3,(H2,14,16)
InChIKeyBUGPOAHDYUTMHH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds4

About N'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide

N'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide (PubChem CID 136914286) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide
PubChem CID136914286
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide
SMILESCCCC1CCN(c2cc(/C(N)=N/O)ccn2)C1
InChIInChI=1S/C13H20N4O/c1-2-3-10-5-7-17(9-10)12-8-11(4-6-15-12)13(14)16-18/h4,6,8,10,18H,2-3,5,7,9H2,1H3,(H2,14,16)
InChIKeyBUGPOAHDYUTMHH-UHFFFAOYSA-N
XLogP1.80
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.80
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

N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide
CID 136924688
N'-hydroxy-3-(3-propylpyrrolidin-1-yl)pyridazine-4-carboximidamide
CID 137012933
N'-hydroxy-2-piperidin-1-ylpyridine-4-carboximidamide
CID 135906764
N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 55050027
3-bromo-4-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82799600
[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407847
ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine
CID 170578415
N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 107929898
2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 76945092
2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 72916320
4-(3-propylpyrrolidin-1-yl)quinolin-7-amine
CID 103001744
3-chloro-N'-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 77048364

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide (CID 136914286) is N'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide is CCCC1CCN(c2cc(/C(N)=N/O)ccn2)C1.
What is the InChIKey of N'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide?
The InChIKey is BUGPOAHDYUTMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-3-10-5-7-17(9-10)12-8-11(4-6-15-12)13(14)16-18/h4,6,8,10,18H,2-3,5,7,9H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide?
N'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide is sourced from PubChem (CID 136914286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).