propan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate

C16H16FNO3 — CID 154751487

IUPACpropan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate
SMILESCC(C)OC(=O)c1ccn(Cc2ccc(F)cc2)c(=O)c1
InChIInChI=1S/C16H16FNO3/c1-11(2)21-16(20)13-7-8-18(15(19)9-13)10-12-3-5-14(17)6-4-12/h3-9,11H,10H2,1-2H3
InChIKeyZTUYIANNARXYFJ-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.60
Rot. Bonds4

About propan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate

propan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate (PubChem CID 154751487) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is propan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate
PubChem CID154751487
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Namepropan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate
SMILESCC(C)OC(=O)c1ccn(Cc2ccc(F)cc2)c(=O)c1
InChIInChI=1S/C16H16FNO3/c1-11(2)21-16(20)13-7-8-18(15(19)9-13)10-12-3-5-14(17)6-4-12/h3-9,11H,10H2,1-2H3
InChIKeyZTUYIANNARXYFJ-UHFFFAOYSA-N
XLogP2.60
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate 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 propan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate?
The IUPAC name of propan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate (CID 154751487) is propan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate.
What is the SMILES notation for propan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate?
The canonical SMILES for propan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate is CC(C)OC(=O)c1ccn(Cc2ccc(F)cc2)c(=O)c1.
What is the InChIKey of propan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate?
The InChIKey is ZTUYIANNARXYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-11(2)21-16(20)13-7-8-18(15(19)9-13)10-12-3-5-14(17)6-4-12/h3-9,11H,10H2,1-2H3.
What are the key properties of propan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate?
propan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate has a molecular weight of 289.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate is sourced from PubChem (CID 154751487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).