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

C14H14FN3O — CID 103808686

IUPAC3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
SMILESNCC(C(=O)Nc1ccc(F)nc1)c1ccccc1
InChIInChI=1S/C14H14FN3O/c15-13-7-6-11(9-17-13)18-14(19)12(8-16)10-4-2-1-3-5-10/h1-7,9,12H,8,16H2,(H,18,19)
InChIKeyMHGYLTVEJFNISN-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.90
Rot. Bonds4

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

3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide (PubChem CID 103808686) 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)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
PubChem CID103808686
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
SMILESNCC(C(=O)Nc1ccc(F)nc1)c1ccccc1
InChIInChI=1S/C14H14FN3O/c15-13-7-6-11(9-17-13)18-14(19)12(8-16)10-4-2-1-3-5-10/h1-7,9,12H,8,16H2,(H,18,19)
InChIKeyMHGYLTVEJFNISN-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
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-[6-(dimethylamino)-3-pyridinyl]-2-phenylpropanamide
CID 62876785
3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
CID 103823688
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
CID 103794914
3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide
CID 107574522
N-(4-acetylphenyl)-3-amino-2-phenylpropanamide
CID 62877329
3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide
CID 103809401
(2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide
CID 104878117
2-amino-N-(6-fluoro-3-pyridinyl)acetamide
CID 103794912
N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700127
3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide
CID 79766780
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide
CID 103808708
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylpropanamide
CID 119844203

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide (CID 103808686) is 3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide is NCC(C(=O)Nc1ccc(F)nc1)c1ccccc1.
What is the InChIKey of 3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide?
The InChIKey is MHGYLTVEJFNISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-13-7-6-11(9-17-13)18-14(19)12(8-16)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)-2-phenylpropanamide?
3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide has a molecular weight of 259.28 g/mol, XLogP of 1.90, 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)-2-phenylpropanamide is sourced from PubChem (CID 103808686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).