methyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C20H17F2NO3 — CID 20647559

IUPACmethyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(c2ccc(F)cc2)NC(=O)C(C)C1c1ccc(F)cc1
InChIInChI=1S/C20H17F2NO3/c1-11-16(12-3-7-14(21)8-4-12)17(20(25)26-2)18(23-19(11)24)13-5-9-15(22)10-6-13/h3-11,16H,1-2H3,(H,23,24)
InChIKeyCHVCUXCVMQATTK-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.40
Rot. Bonds3

About methyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

methyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 20647559) has the molecular formula C20H17F2NO3 and a molecular weight of 357.36 g/mol. Its IUPAC name is methyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID20647559
Molecular FormulaC20H17F2NO3
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Namemethyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(c2ccc(F)cc2)NC(=O)C(C)C1c1ccc(F)cc1
InChIInChI=1S/C20H17F2NO3/c1-11-16(12-3-7-14(21)8-4-12)17(20(25)26-2)18(23-19(11)24)13-5-9-15(22)10-6-13/h3-11,16H,1-2H3,(H,23,24)
InChIKeyCHVCUXCVMQATTK-UHFFFAOYSA-N
XLogP3.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of methyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 20647559) is methyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for methyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is COC(=O)C1=C(c2ccc(F)cc2)NC(=O)C(C)C1c1ccc(F)cc1.
What is the InChIKey of methyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is CHVCUXCVMQATTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3/c1-11-16(12-3-7-14(21)8-4-12)17(20(25)26-2)18(23-19(11)24)13-5-9-15(22)10-6-13/h3-11,16H,1-2H3,(H,23,24).
What are the key properties of methyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
methyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 357.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-bis(4-fluorophenyl)-3-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 20647559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).