N'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide

C13H20N4O — CID 76916253

IUPACN'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(N2CCCCC2C)n1
InChIInChI=1S/C13H20N4O/c1-9-6-7-11(12(14)16-18)13(15-9)17-8-4-3-5-10(17)2/h6-7,10,18H,3-5,8H2,1-2H3,(H2,14,16)
InChIKeyKPLAKPMZCJKLPU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.86
Rot. Bonds2

About N'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide

N'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide (PubChem CID 76916253) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
PubChem CID76916253
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(N2CCCCC2C)n1
InChIInChI=1S/C13H20N4O/c1-9-6-7-11(12(14)16-18)13(15-9)17-8-4-3-5-10(17)2/h6-7,10,18H,3-5,8H2,1-2H3,(H2,14,16)
InChIKeyKPLAKPMZCJKLPU-UHFFFAOYSA-N
XLogP1.86
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.86
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-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62701810
N'-hydroxy-6-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboximidamide
CID 76916212
N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 81277575
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 104958843
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916110
N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24711133
6-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carbothioamide
CID 79921499
2-(4-amino-2-methylpiperidin-1-yl)-6-methylpyridine-3-carboxamide
CID 113284707
2-(4,4-diethylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76986665
N'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide
CID 76916263
4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide
CID 61177475
2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76986723

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide (CID 76916253) is N'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide is Cc1ccc(C(N)=NO)c(N2CCCCC2C)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide?
The InChIKey is KPLAKPMZCJKLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-6-7-11(12(14)16-18)13(15-9)17-8-4-3-5-10(17)2/h6-7,10,18H,3-5,8H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide?
N'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 76916253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).