N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide

C13H19FN2O3 — CID 130207497

IUPACN-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCc1c(F)[nH]c(OC)cc1=O
InChIInChI=1S/C13H19FN2O3/c1-5-13(2,3)12(18)15-7-8-9(17)6-10(19-4)16-11(8)14/h6H,5,7H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyNWFLFJAUXWMNBJ-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.58
Rot. Bonds5

About N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide

N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide (PubChem CID 130207497) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide
PubChem CID130207497
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC NameN-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCc1c(F)[nH]c(OC)cc1=O
InChIInChI=1S/C13H19FN2O3/c1-5-13(2,3)12(18)15-7-8-9(17)6-10(19-4)16-11(8)14/h6H,5,7H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyNWFLFJAUXWMNBJ-UHFFFAOYSA-N
XLogP1.58
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.58
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 N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide (CID 130207497) is N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCc1c(F)[nH]c(OC)cc1=O.
What is the InChIKey of N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide?
The InChIKey is NWFLFJAUXWMNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-5-13(2,3)12(18)15-7-8-9(17)6-10(19-4)16-11(8)14/h6H,5,7H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide?
N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide has a molecular weight of 270.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 130207497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).