(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide

C11H16FN3O — CID 103808708

IUPAC(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccc(F)nc1
InChIInChI=1S/C11H16FN3O/c1-11(2,3)9(13)10(16)15-7-4-5-8(12)14-6-7/h4-6,9H,13H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyKFWSJVBHXBEYRO-SECBINFHSA-N
MW225.27 g/mol
LogP1.53
Rot. Bonds2

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

(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide (PubChem CID 103808708) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide
PubChem CID103808708
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccc(F)nc1
InChIInChI=1S/C11H16FN3O/c1-11(2,3)9(13)10(16)15-7-4-5-8(12)14-6-7/h4-6,9H,13H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyKFWSJVBHXBEYRO-SECBINFHSA-N
XLogP1.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.53
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

(2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide
CID 104878117
(2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide
CID 113353541
(2R)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 103928749
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 76887277
(2R)-2-amino-3,3-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 103928713
(2R)-2-amino-3,3-dimethyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 103928716
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide
CID 103789664
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
(2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide
CID 103928376
2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 70963721
(2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 103929010

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide (CID 103808708) is (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide is CC(C)(C)[C@H](N)C(=O)Nc1ccc(F)nc1.
What is the InChIKey of (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide?
The InChIKey is KFWSJVBHXBEYRO-SECBINFHSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-11(2,3)9(13)10(16)15-7-4-5-8(12)14-6-7/h4-6,9H,13H2,1-3H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide has a molecular weight of 225.27 g/mol, XLogP of 1.53, 2 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)-3,3-dimethylbutanamide is sourced from PubChem (CID 103808708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).