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

C12H17FN2O3 — CID 118544300

IUPACN-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCOc1cc(=O)c(CNC(=O)C(C)(C)C)c(F)[nH]1
InChIInChI=1S/C12H17FN2O3/c1-12(2,3)11(17)14-6-7-8(16)5-9(18-4)15-10(7)13/h5H,6H2,1-4H3,(H,14,17)(H,15,16)
InChIKeySGUSZVRERZQMKR-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.18
Rot. Bonds3

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

N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 118544300) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
PubChem CID118544300
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC NameN-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCOc1cc(=O)c(CNC(=O)C(C)(C)C)c(F)[nH]1
InChIInChI=1S/C12H17FN2O3/c1-12(2,3)11(17)14-6-7-8(16)5-9(18-4)15-10(7)13/h5H,6H2,1-4H3,(H,14,17)(H,15,16)
InChIKeySGUSZVRERZQMKR-UHFFFAOYSA-N
XLogP1.18
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.18
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-dimethylpropanamide?
The IUPAC name of N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide (CID 118544300) is N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide is COc1cc(=O)c(CNC(=O)C(C)(C)C)c(F)[nH]1.
What is the InChIKey of N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is SGUSZVRERZQMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-12(2,3)11(17)14-6-7-8(16)5-9(18-4)15-10(7)13/h5H,6H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide?
N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 256.28 g/mol, XLogP of 1.18, 3 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-dimethylpropanamide is sourced from PubChem (CID 118544300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).