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

C10H14FN3O — CID 116813269

IUPAC2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1cccc(F)n1
InChIInChI=1S/C10H14FN3O/c1-6(2)9(12)10(15)14-8-5-3-4-7(11)13-8/h3-6,9H,12H2,1-2H3,(H,13,14,15)
InChIKeyFOFPYUHFFQYVON-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.14
Rot. Bonds3

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

2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide (PubChem CID 116813269) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
PubChem CID116813269
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1cccc(F)n1
InChIInChI=1S/C10H14FN3O/c1-6(2)9(12)10(15)14-8-5-3-4-7(11)13-8/h3-6,9H,12H2,1-2H3,(H,13,14,15)
InChIKeyFOFPYUHFFQYVON-UHFFFAOYSA-N
XLogP1.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.14
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

(2S)-2-amino-N-(6-fluoro-2-pyridinyl)propanamide
CID 104893703
(2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide
CID 104893705
N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 104820526
(2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide
CID 22689866
(2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide
CID 130299804
2-amino-3-methyl-N-(6-phenyl-2-pyridinyl)butanamide
CID 110481515
3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 116813108
ethyl 2-amino-3-[(6-fluoro-2-pyridinyl)amino]-3-oxopropanoate
CID 116813320
(2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide
CID 104893696
4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
CID 116813228
3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide
CID 116813224
2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide
CID 116795069

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide (CID 116813269) is 2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide is CC(C)C(N)C(=O)Nc1cccc(F)n1.
What is the InChIKey of 2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide?
The InChIKey is FOFPYUHFFQYVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-6(2)9(12)10(15)14-8-5-3-4-7(11)13-8/h3-6,9H,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide?
2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide has a molecular weight of 211.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 116813269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).