N'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide

C12H18N4O — CID 71568914

IUPACN'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide
SMILESN/C(=N\CCN1CCOCC1)c1ccncc1
InChIInChI=1S/C12H18N4O/c13-12(11-1-3-14-4-2-11)15-5-6-16-7-9-17-10-8-16/h1-4H,5-10H2,(H2,13,15)
InChIKeyZAOOMUBDRARXOL-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.12
Rot. Bonds4

About N'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide

N'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide (PubChem CID 71568914) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide
PubChem CID71568914
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide
SMILESN/C(=N\CCN1CCOCC1)c1ccncc1
InChIInChI=1S/C12H18N4O/c13-12(11-1-3-14-4-2-11)15-5-6-16-7-9-17-10-8-16/h1-4H,5-10H2,(H2,13,15)
InChIKeyZAOOMUBDRARXOL-UHFFFAOYSA-N
XLogP0.12
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide?
The IUPAC name of N'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide (CID 71568914) is N'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide.
What is the SMILES notation for N'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide?
The canonical SMILES for N'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide is N/C(=N\CCN1CCOCC1)c1ccncc1.
What is the InChIKey of N'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide?
The InChIKey is ZAOOMUBDRARXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-12(11-1-3-14-4-2-11)15-5-6-16-7-9-17-10-8-16/h1-4H,5-10H2,(H2,13,15).
What are the key properties of N'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide?
N'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide is sourced from PubChem (CID 71568914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).