3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide

C14H14FN3O — CID 103823688

IUPAC3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
SMILESNC(CC(=O)Nc1ccc(F)nc1)c1ccccc1
InChIInChI=1S/C14H14FN3O/c15-13-7-6-11(9-17-13)18-14(19)8-12(16)10-4-2-1-3-5-10/h1-7,9,12H,8,16H2,(H,18,19)
InChIKeyMLEPHEXGWJIHIQ-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.25
Rot. Bonds4

About 3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide

3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide (PubChem CID 103823688) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
PubChem CID103823688
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
SMILESNC(CC(=O)Nc1ccc(F)nc1)c1ccccc1
InChIInChI=1S/C14H14FN3O/c15-13-7-6-11(9-17-13)18-14(19)8-12(16)10-4-2-1-3-5-10/h1-7,9,12H,8,16H2,(H,18,19)
InChIKeyMLEPHEXGWJIHIQ-UHFFFAOYSA-N
XLogP2.25
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
CID 57278352
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358
3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
CID 103808686
2-amino-N-(6-fluoro-3-pyridinyl)acetamide
CID 103794912
N-(6-fluoro-3-pyridinyl)-2-phenoxyacetamide
CID 103789815
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
CID 103794914
N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide
CID 103789664
3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949874
N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide
CID 103789587
3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
CID 43709065
3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 43123771
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 119949748

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide (CID 103823688) is 3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide is NC(CC(=O)Nc1ccc(F)nc1)c1ccccc1.
What is the InChIKey of 3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide?
The InChIKey is MLEPHEXGWJIHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-13-7-6-11(9-17-13)18-14(19)8-12(16)10-4-2-1-3-5-10/h1-7,9,12H,8,16H2,(H,18,19).
What are the key properties of 3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide?
3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide has a molecular weight of 259.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide is sourced from PubChem (CID 103823688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).