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

C10H14FN3O — CID 116813228

IUPAC4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)Nc1cccc(F)n1
InChIInChI=1S/C10H14FN3O/c1-7(6-12)5-10(15)14-9-4-2-3-8(11)13-9/h2-4,7H,5-6,12H2,1H3,(H,13,14,15)
InChIKeyXTSBTJKSQMQUHK-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.14
Rot. Bonds4

About 4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide

4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide (PubChem CID 116813228) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
PubChem CID116813228
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)Nc1cccc(F)n1
InChIInChI=1S/C10H14FN3O/c1-7(6-12)5-10(15)14-9-4-2-3-8(11)13-9/h2-4,7H,5-6,12H2,1H3,(H,13,14,15)
InChIKeyXTSBTJKSQMQUHK-UHFFFAOYSA-N
XLogP1.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide (CID 116813228) is 4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide is CC(CN)CC(=O)Nc1cccc(F)n1.
What is the InChIKey of 4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide?
The InChIKey is XTSBTJKSQMQUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-7(6-12)5-10(15)14-9-4-2-3-8(11)13-9/h2-4,7H,5-6,12H2,1H3,(H,13,14,15).
What are the key properties of 4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide?
4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide has a molecular weight of 211.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 116813228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).