N'-hydroxy-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide

C13H18N4O2 — CID 137013603

IUPACN'-hydroxy-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C13H18N4O2/c1-8-4-9(13(14)16-18)5-12(15-8)17-6-10-2-3-11(7-17)19-10/h4-5,10-11,18H,2-3,6-7H2,1H3,(H2,14,16)
InChIKeyANKGTTIGSCVYAX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.85
Rot. Bonds2

About N'-hydroxy-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide

N'-hydroxy-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide (PubChem CID 137013603) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide
PubChem CID137013603
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN'-hydroxy-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C13H18N4O2/c1-8-4-9(13(14)16-18)5-12(15-8)17-6-10-2-3-11(7-17)19-10/h4-5,10-11,18H,2-3,6-7H2,1H3,(H2,14,16)
InChIKeyANKGTTIGSCVYAX-UHFFFAOYSA-N
XLogP0.85
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.85
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-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide
CID 137013400
6-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidine-4-carbothioamide
CID 107547681
2-(2,4-dimethyl-1,4-diazepan-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 136726380
N'-hydroxy-2-methyl-6-pyrazol-1-ylpyridine-4-carboximidamide
CID 137013664
3-fluoro-N'-hydroxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 77135914
N'-hydroxy-3-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide
CID 114482975
2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013688
N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 77135913
2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013422
N'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 81303015
5-chloro-N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 77135908
2-(3-hydroxypiperidin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114767338

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide (CID 137013603) is N'-hydroxy-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(N2CC3CCC(C2)O3)n1.
What is the InChIKey of N'-hydroxy-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide?
The InChIKey is ANKGTTIGSCVYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-4-9(13(14)16-18)5-12(15-8)17-6-10-2-3-11(7-17)19-10/h4-5,10-11,18H,2-3,6-7H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide?
N'-hydroxy-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide has a molecular weight of 262.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidamide is sourced from PubChem (CID 137013603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).