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

C12H17FN2O3 — CID 118544319

IUPACN-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCOc1[nH]c(F)cc(=O)c1CNC(=O)C(C)(C)C
InChIInChI=1S/C12H17FN2O3/c1-12(2,3)11(17)14-6-7-8(16)5-9(13)15-10(7)18-4/h5H,6H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyKCKUEIFQSOMQEA-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.18
Rot. Bonds3

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

N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 118544319) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
PubChem CID118544319
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC NameN-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCOc1[nH]c(F)cc(=O)c1CNC(=O)C(C)(C)C
InChIInChI=1S/C12H17FN2O3/c1-12(2,3)11(17)14-6-7-8(16)5-9(13)15-10(7)18-4/h5H,6H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyKCKUEIFQSOMQEA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide (CID 118544319) is N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide is COc1[nH]c(F)cc(=O)c1CNC(=O)C(C)(C)C.
What is the InChIKey of N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is KCKUEIFQSOMQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-12(2,3)11(17)14-6-7-8(16)5-9(13)15-10(7)18-4/h5H,6H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide?
N-[(6-fluoro-2-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-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118544319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).