4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide

C12H18N4O2 — CID 79676825

IUPAC4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(c2cccc(OCC)n2)CCO1
InChIInChI=1S/C12H18N4O2/c1-2-17-11-5-3-4-10(15-11)16-6-7-18-9(8-16)12(13)14/h3-5,9H,2,6-8H2,1H3,(H3,13,14)
InChIKeyZHLNFFCIDCAJNU-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.62
Rot. Bonds4

About 4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide

4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide (PubChem CID 79676825) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide
PubChem CID79676825
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(c2cccc(OCC)n2)CCO1
InChIInChI=1S/C12H18N4O2/c1-2-17-11-5-3-4-10(15-11)16-6-7-18-9(8-16)12(13)14/h3-5,9H,2,6-8H2,1H3,(H3,13,14)
InChIKeyZHLNFFCIDCAJNU-UHFFFAOYSA-N
XLogP0.62
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.62
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide?
The IUPAC name of 4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide (CID 79676825) is 4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide.
What is the SMILES notation for 4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide?
The canonical SMILES for 4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(c2cccc(OCC)n2)CCO1.
What is the InChIKey of 4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide?
The InChIKey is ZHLNFFCIDCAJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-17-11-5-3-4-10(15-11)16-6-7-18-9(8-16)12(13)14/h3-5,9H,2,6-8H2,1H3,(H3,13,14).
What are the key properties of 4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide?
4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide has a molecular weight of 250.30 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79676825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).