3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one

C23H24FNO4 — CID 169417970

IUPAC3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24FNO4/c1-15-14-20(18-8-12-28-13-9-18)29-23(27)21(15)22(26)25-10-6-17(7-11-25)16-2-4-19(24)5-3-16/h2-6,14,18H,7-13H2,1H3
InChIKeyBIJUFLGSKAUYKT-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.91
Rot. Bonds3

About 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one

3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one (PubChem CID 169417970) has the molecular formula C23H24FNO4 and a molecular weight of 397.45 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one
PubChem CID169417970
Molecular FormulaC23H24FNO4
Molecular Weight397.45 g/mol
Exact Mass397.17
IUPAC Name3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24FNO4/c1-15-14-20(18-8-12-28-13-9-18)29-23(27)21(15)22(26)25-10-6-17(7-11-25)16-2-4-19(24)5-3-16/h2-6,14,18H,7-13H2,1H3
InChIKeyBIJUFLGSKAUYKT-UHFFFAOYSA-N
XLogP3.91
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one?
The IUPAC name of 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one (CID 169417970) is 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one?
The canonical SMILES for 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one is Cc1cc(C2CCOCC2)oc(=O)c1C(=O)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one?
The InChIKey is BIJUFLGSKAUYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO4/c1-15-14-20(18-8-12-28-13-9-18)29-23(27)21(15)22(26)25-10-6-17(7-11-25)16-2-4-19(24)5-3-16/h2-6,14,18H,7-13H2,1H3.
What are the key properties of 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one?
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one has a molecular weight of 397.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one is sourced from PubChem (CID 169417970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).