3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide

C11H17FN4 — CID 62733411

IUPAC3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1ncccc1F)C(C)C
InChIInChI=1S/C11H17FN4/c1-8(2)16(7-5-10(13)14)11-9(12)4-3-6-15-11/h3-4,6,8H,5,7H2,1-2H3,(H3,13,14)
InChIKeyIXSPQVBYNITJQC-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.76
Rot. Bonds5

About 3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide

3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide (PubChem CID 62733411) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide.

Molecular Properties

Compound Name3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide
PubChem CID62733411
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1ncccc1F)C(C)C
InChIInChI=1S/C11H17FN4/c1-8(2)16(7-5-10(13)14)11-9(12)4-3-6-15-11/h3-4,6,8H,5,7H2,1-2H3,(H3,13,14)
InChIKeyIXSPQVBYNITJQC-UHFFFAOYSA-N
XLogP1.76
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide?
The IUPAC name of 3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide (CID 62733411) is 3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide.
What is the SMILES notation for 3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide?
The canonical SMILES for 3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide is [H]/N=C(\N)CCN(c1ncccc1F)C(C)C.
What is the InChIKey of 3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide?
The InChIKey is IXSPQVBYNITJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c1-8(2)16(7-5-10(13)14)11-9(12)4-3-6-15-11/h3-4,6,8H,5,7H2,1-2H3,(H3,13,14).
What are the key properties of 3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide?
3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide has a molecular weight of 224.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide is sourced from PubChem (CID 62733411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).