N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide

C11H16N4O3 — CID 136952016

IUPACN'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccncc1N1CCOCC1CO
InChIInChI=1S/C11H16N4O3/c12-11(14-17)9-1-2-13-5-10(9)15-3-4-18-7-8(15)6-16/h1-2,5,8,16-17H,3-4,6-7H2,(H2,12,14)
InChIKeyHGCVTHNMSDEFNT-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.63
Rot. Bonds3

About N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide

N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide (PubChem CID 136952016) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide
PubChem CID136952016
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccncc1N1CCOCC1CO
InChIInChI=1S/C11H16N4O3/c12-11(14-17)9-1-2-13-5-10(9)15-3-4-18-7-8(15)6-16/h1-2,5,8,16-17H,3-4,6-7H2,(H2,12,14)
InChIKeyHGCVTHNMSDEFNT-UHFFFAOYSA-N
XLogP-0.63
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.63
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-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide (CID 136952016) is N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide is N/C(=N/O)c1ccncc1N1CCOCC1CO.
What is the InChIKey of N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide?
The InChIKey is HGCVTHNMSDEFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-11(14-17)9-1-2-13-5-10(9)15-3-4-18-7-8(15)6-16/h1-2,5,8,16-17H,3-4,6-7H2,(H2,12,14).
What are the key properties of N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide?
N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide has a molecular weight of 252.27 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide is sourced from PubChem (CID 136952016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).