2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide

C15H24N4O — CID 76986723

IUPAC2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCCC1(C)CCN(c2nc(C)ccc2C(N)=NO)CC1
InChIInChI=1S/C15H24N4O/c1-4-15(3)7-9-19(10-8-15)14-12(13(16)18-20)6-5-11(2)17-14/h5-6,20H,4,7-10H2,1-3H3,(H2,16,18)
InChIKeyVRLYFNYHNUXQGA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.50
Rot. Bonds3

About 2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 76986723) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID76986723
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCCC1(C)CCN(c2nc(C)ccc2C(N)=NO)CC1
InChIInChI=1S/C15H24N4O/c1-4-15(3)7-9-19(10-8-15)14-12(13(16)18-20)6-5-11(2)17-14/h5-6,20H,4,7-10H2,1-3H3,(H2,16,18)
InChIKeyVRLYFNYHNUXQGA-UHFFFAOYSA-N
XLogP2.50
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.50
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 2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 76986723) is 2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide is CCC1(C)CCN(c2nc(C)ccc2C(N)=NO)CC1.
What is the InChIKey of 2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is VRLYFNYHNUXQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-15(3)7-9-19(10-8-15)14-12(13(16)18-20)6-5-11(2)17-14/h5-6,20H,4,7-10H2,1-3H3,(H2,16,18).
What are the key properties of 2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 276.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 76986723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).