2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide

C8H11FN2O2 — CID 89110420

IUPAC2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide
SMILESCON(C)C(=O)C1=CC=CNC1F
InChIInChI=1S/C8H11FN2O2/c1-11(13-2)8(12)6-4-3-5-10-7(6)9/h3-5,7,10H,1-2H3
InChIKeyPSNIPZQNRQXSBI-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.35
Rot. Bonds2

About 2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide

2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide (PubChem CID 89110420) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide
PubChem CID89110420
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide
SMILESCON(C)C(=O)C1=CC=CNC1F
InChIInChI=1S/C8H11FN2O2/c1-11(13-2)8(12)6-4-3-5-10-7(6)9/h3-5,7,10H,1-2H3
InChIKeyPSNIPZQNRQXSBI-UHFFFAOYSA-N
XLogP0.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide 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 2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide (CID 89110420) is 2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide is CON(C)C(=O)C1=CC=CNC1F.
What is the InChIKey of 2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide?
The InChIKey is PSNIPZQNRQXSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-11(13-2)8(12)6-4-3-5-10-7(6)9/h3-5,7,10H,1-2H3.
What are the key properties of 2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide?
2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide has a molecular weight of 186.19 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methoxy-N-methyl-1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 89110420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).