N'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide

C14H22N4O — CID 136926888

IUPACN'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide
SMILESCC1CCC(N(C)c2cc(/C(N)=N/O)ccn2)CC1
InChIInChI=1S/C14H22N4O/c1-10-3-5-12(6-4-10)18(2)13-9-11(7-8-16-13)14(15)17-19/h7-10,12,19H,3-6H2,1-2H3,(H2,15,17)
InChIKeyRJKGVGOWXLMAIG-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.19
Rot. Bonds3

About N'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide

N'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide (PubChem CID 136926888) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide
PubChem CID136926888
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide
SMILESCC1CCC(N(C)c2cc(/C(N)=N/O)ccn2)CC1
InChIInChI=1S/C14H22N4O/c1-10-3-5-12(6-4-10)18(2)13-9-11(7-8-16-13)14(15)17-19/h7-10,12,19H,3-6H2,1-2H3,(H2,15,17)
InChIKeyRJKGVGOWXLMAIG-UHFFFAOYSA-N
XLogP2.19
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.19
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide (CID 136926888) is N'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide is CC1CCC(N(C)c2cc(/C(N)=N/O)ccn2)CC1.
What is the InChIKey of N'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide?
The InChIKey is RJKGVGOWXLMAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-3-5-12(6-4-10)18(2)13-9-11(7-8-16-13)14(15)17-19/h7-10,12,19H,3-6H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide?
N'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 136926888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).