N'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide

C12H18N4O3 — CID 81203418

IUPACN'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide
SMILESCC1COC(CO)CN1c1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C12H18N4O3/c1-8-7-19-10(6-17)5-16(8)11-3-2-9(4-14-11)12(13)15-18/h2-4,8,10,17-18H,5-7H2,1H3,(H2,13,15)
InChIKeyVAFBVNYTKDYNLX-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.24
Rot. Bonds3

About N'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide

N'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide (PubChem CID 81203418) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide
PubChem CID81203418
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide
SMILESCC1COC(CO)CN1c1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C12H18N4O3/c1-8-7-19-10(6-17)5-16(8)11-3-2-9(4-14-11)12(13)15-18/h2-4,8,10,17-18H,5-7H2,1H3,(H2,13,15)
InChIKeyVAFBVNYTKDYNLX-UHFFFAOYSA-N
XLogP-0.24
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide (CID 81203418) is N'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide is CC1COC(CO)CN1c1ccc(/C(N)=N/O)cn1.
What is the InChIKey of N'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide?
The InChIKey is VAFBVNYTKDYNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-7-19-10(6-17)5-16(8)11-3-2-9(4-14-11)12(13)15-18/h2-4,8,10,17-18H,5-7H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide?
N'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide has a molecular weight of 266.30 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 81203418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).