4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide

C11H16FN3O — CID 116813180

IUPAC4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide
SMILESCC(C)(N)CCC(=O)Nc1cccc(F)n1
InChIInChI=1S/C11H16FN3O/c1-11(2,13)7-6-10(16)15-9-5-3-4-8(12)14-9/h3-5H,6-7,13H2,1-2H3,(H,14,15,16)
InChIKeyYSYNAQWBZOGEQF-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.68
Rot. Bonds4

About 4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide

4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide (PubChem CID 116813180) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide
PubChem CID116813180
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide
SMILESCC(C)(N)CCC(=O)Nc1cccc(F)n1
InChIInChI=1S/C11H16FN3O/c1-11(2,13)7-6-10(16)15-9-5-3-4-8(12)14-9/h3-5H,6-7,13H2,1-2H3,(H,14,15,16)
InChIKeyYSYNAQWBZOGEQF-UHFFFAOYSA-N
XLogP1.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.68
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

N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
CID 104820780
N-(6-fluoro-2-pyridinyl)pentanamide
CID 104820722
N-(6-fluoro-2-pyridinyl)octanamide
CID 104820556
N-(6-fluoro-2-pyridinyl)-3-phenylpropanamide
CID 104820903
N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 116813202
N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide
CID 113456887
ethyl N-(6-fluoro-2-pyridinyl)carbamate
CID 45119575
4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
CID 116813228
N-(6-fluoro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 113456880
(2S)-2-amino-N-(6-fluoro-2-pyridinyl)propanamide
CID 104893703
4-amino-N,N'-bis[2-methyl-5-oxo-5-[[6-(propanoylamino)-2-pyridinyl]amino]pentan-2-yl]-4-[3-[[2-methyl-5-oxo-5-[[6-(propanoylamino)-2-pyridinyl]amino]pentan-2-yl]amino]-3-oxopropyl]heptanediamide
CID 101047236
N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 104820526

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide?
The IUPAC name of 4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide (CID 116813180) is 4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide?
The canonical SMILES for 4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide is CC(C)(N)CCC(=O)Nc1cccc(F)n1.
What is the InChIKey of 4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide?
The InChIKey is YSYNAQWBZOGEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-11(2,13)7-6-10(16)15-9-5-3-4-8(12)14-9/h3-5H,6-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide?
4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide has a molecular weight of 225.27 g/mol, XLogP of 1.68, 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)-4-methylpentanamide is sourced from PubChem (CID 116813180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).