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

C11H15FN2O — CID 104820780

IUPACN-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cccc(F)n1
InChIInChI=1S/C11H15FN2O/c1-11(2,3)7-10(15)14-9-6-4-5-8(12)13-9/h4-6H,7H2,1-3H3,(H,13,14,15)
InChIKeyVNGRHEGMAFGJSA-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.60
Rot. Bonds2

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

N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide (PubChem CID 104820780) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
PubChem CID104820780
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cccc(F)n1
InChIInChI=1S/C11H15FN2O/c1-11(2,3)7-10(15)14-9-6-4-5-8(12)13-9/h4-6H,7H2,1-3H3,(H,13,14,15)
InChIKeyVNGRHEGMAFGJSA-UHFFFAOYSA-N
XLogP2.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide
CID 115669489
4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide
CID 116813180
N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
CID 102532470
N-(6-fluoro-2-pyridinyl)pentanamide
CID 104820722
N-(6-fluoro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 113456880
N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide
CID 102532473
N-(6-fluoro-2-pyridinyl)octanamide
CID 104820556
(E)-3-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]prop-2-enoic acid
CID 109374977
N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 104820526
ethyl N-(6-fluoro-2-pyridinyl)carbamate
CID 45119575
4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
CID 116813228
2-(3-fluorophenyl)-N-(6-fluoro-2-pyridinyl)acetamide
CID 104820790

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide (CID 104820780) is N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cccc(F)n1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide?
The InChIKey is VNGRHEGMAFGJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-11(2,3)7-10(15)14-9-6-4-5-8(12)13-9/h4-6H,7H2,1-3H3,(H,13,14,15).
What are the key properties of N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide?
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide has a molecular weight of 210.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 104820780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).