(2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide

C9H12FN3O — CID 104878117

IUPAC(2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide
SMILESCC[C@@H](N)C(=O)Nc1ccc(F)nc1
InChIInChI=1S/C9H12FN3O/c1-2-7(11)9(14)13-6-3-4-8(10)12-5-6/h3-5,7H,2,11H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyHLMCGDYYQPFPSF-SSDOTTSWSA-N
MW197.21 g/mol
LogP0.90
Rot. Bonds3

About (2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide

(2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide (PubChem CID 104878117) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is (2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide
PubChem CID104878117
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name(2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide
SMILESCC[C@@H](N)C(=O)Nc1ccc(F)nc1
InChIInChI=1S/C9H12FN3O/c1-2-7(11)9(14)13-6-3-4-8(10)12-5-6/h3-5,7H,2,11H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyHLMCGDYYQPFPSF-SSDOTTSWSA-N
XLogP0.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.90
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

2-amino-N-(2-methylpyrimidin-5-yl)butanamide
CID 83617934
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
CID 103794914
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide
CID 103808708
2-amino-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 43704585
2-amino-N-(6-fluoro-3-pyridinyl)acetamide
CID 103794912
(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119839706
3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
CID 103808686
4-[[(2S)-2-aminobutanoyl]amino]benzoic acid
CID 79023274
2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane
CID 171774439
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride
CID 119281097
5-(2-aminobutanoylamino)-2-fluorobenzoic acid
CID 43712184

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide?
The IUPAC name of (2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide (CID 104878117) is (2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide?
The canonical SMILES for (2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide is CC[C@@H](N)C(=O)Nc1ccc(F)nc1.
What is the InChIKey of (2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide?
The InChIKey is HLMCGDYYQPFPSF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-2-7(11)9(14)13-6-3-4-8(10)12-5-6/h3-5,7H,2,11H2,1H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide?
(2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide has a molecular weight of 197.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide is sourced from PubChem (CID 104878117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).