N'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide

C13H20N4O2 — CID 137013400

IUPACN'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide
SMILESCOC1CCN(c2cc(/C(N)=N/O)cc(C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-9-7-10(13(14)16-18)8-12(15-9)17-5-3-11(19-2)4-6-17/h7-8,11,18H,3-6H2,1-2H3,(H2,14,16)
InChIKeyRURNAVFHAYVXDA-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.10
Rot. Bonds3

About N'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide

N'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide (PubChem CID 137013400) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide
PubChem CID137013400
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide
SMILESCOC1CCN(c2cc(/C(N)=N/O)cc(C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-9-7-10(13(14)16-18)8-12(15-9)17-5-3-11(19-2)4-6-17/h7-8,11,18H,3-6H2,1-2H3,(H2,14,16)
InChIKeyRURNAVFHAYVXDA-UHFFFAOYSA-N
XLogP1.10
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide
CID 137013603
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
CID 103533946
2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide
CID 114770036
2-(2,4-dimethyl-1,4-diazepan-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 136726380
N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide
CID 136986695
N'-hydroxy-2-methyl-6-pyrazol-1-ylpyridine-4-carboximidamide
CID 137013664
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide
CID 136967839
N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide
CID 43373259
5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 114892399
2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine
CID 154661534
N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 43372970
2-methyl-6-(4-propan-2-ylazepan-1-yl)pyridine-4-carbothioamide
CID 114767724

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide (CID 137013400) is N'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide is COC1CCN(c2cc(/C(N)=N/O)cc(C)n2)CC1.
What is the InChIKey of N'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide?
The InChIKey is RURNAVFHAYVXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-7-10(13(14)16-18)8-12(15-9)17-5-3-11(19-2)4-6-17/h7-8,11,18H,3-6H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide?
N'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide has a molecular weight of 264.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 137013400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).