(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide

C14H14FN3O — CID 103794914

IUPAC(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)nc1
InChIInChI=1S/C14H14FN3O/c15-13-7-6-11(9-17-13)18-14(19)12(16)8-10-4-2-1-3-5-10/h1-7,9,12H,8,16H2,(H,18,19)/t12-/m0/s1
InChIKeyIPZKPAPUOIVVAX-LBPRGKRZSA-N
MW259.28 g/mol
LogP1.73
Rot. Bonds4

About (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide

(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide (PubChem CID 103794914) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
PubChem CID103794914
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)nc1
InChIInChI=1S/C14H14FN3O/c15-13-7-6-11(9-17-13)18-14(19)12(16)8-10-4-2-1-3-5-10/h1-7,9,12H,8,16H2,(H,18,19)/t12-/m0/s1
InChIKeyIPZKPAPUOIVVAX-LBPRGKRZSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide
CID 104878117
(2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride
CID 119845900
2-amino-N-(3,5-difluorophenyl)-3-phenylpropanamide
CID 24703610
3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
CID 103808686
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
(2R)-2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-3-phenylpropanamide
CID 103797011
2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide
CID 107574453

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide (CID 103794914) is (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)nc1.
What is the InChIKey of (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide?
The InChIKey is IPZKPAPUOIVVAX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-13-7-6-11(9-17-13)18-14(19)12(16)8-10-4-2-1-3-5-10/h1-7,9,12H,8,16H2,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide?
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide has a molecular weight of 259.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide is sourced from PubChem (CID 103794914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).