3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide

C11H17FN4O — CID 63285684

IUPAC3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)c1ncccc1F
InChIInChI=1S/C11H17FN4O/c1-17-8-7-16(6-4-10(13)14)11-9(12)3-2-5-15-11/h2-3,5H,4,6-8H2,1H3,(H3,13,14)
InChIKeyGZSUSBJYUSHEHX-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.00
Rot. Bonds7

About 3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide

3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide (PubChem CID 63285684) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide
PubChem CID63285684
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)c1ncccc1F
InChIInChI=1S/C11H17FN4O/c1-17-8-7-16(6-4-10(13)14)11-9(12)3-2-5-15-11/h2-3,5H,4,6-8H2,1H3,(H3,13,14)
InChIKeyGZSUSBJYUSHEHX-UHFFFAOYSA-N
XLogP1.00
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.00
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide?
The IUPAC name of 3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide (CID 63285684) is 3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide.
What is the SMILES notation for 3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide?
The canonical SMILES for 3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)c1ncccc1F.
What is the InChIKey of 3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide?
The InChIKey is GZSUSBJYUSHEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-17-8-7-16(6-4-10(13)14)11-9(12)3-2-5-15-11/h2-3,5H,4,6-8H2,1H3,(H3,13,14).
What are the key properties of 3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide?
3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide has a molecular weight of 240.28 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide is sourced from PubChem (CID 63285684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).