N'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide

C15H25N5O — CID 61177125

IUPACN'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(N(C)C2CCN(C)CC2)n1
InChIInChI=1S/C15H25N5O/c1-10-9-11(2)17-15(13(10)14(16)18-21)20(4)12-5-7-19(3)8-6-12/h9,12,21H,5-8H2,1-4H3,(H2,16,18)
InChIKeyMEDJGHIWOUMMDC-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.32
Rot. Bonds3

About N'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide

N'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide (PubChem CID 61177125) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide
PubChem CID61177125
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(N(C)C2CCN(C)CC2)n1
InChIInChI=1S/C15H25N5O/c1-10-9-11(2)17-15(13(10)14(16)18-21)20(4)12-5-7-19(3)8-6-12/h9,12,21H,5-8H2,1-4H3,(H2,16,18)
InChIKeyMEDJGHIWOUMMDC-UHFFFAOYSA-N
XLogP1.32
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.32
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide (CID 61177125) is N'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide is Cc1cc(C)c(C(N)=NO)c(N(C)C2CCN(C)CC2)n1.
What is the InChIKey of N'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide?
The InChIKey is MEDJGHIWOUMMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-10-9-11(2)17-15(13(10)14(16)18-21)20(4)12-5-7-19(3)8-6-12/h9,12,21H,5-8H2,1-4H3,(H2,16,18).
What are the key properties of N'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide?
N'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide has a molecular weight of 291.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 61177125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).