[(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone

C23H28FNO2 — CID 163401743

IUPAC[(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone
SMILESC=CC1=C(C=C)[C@H](c2ccc(F)cc2)N(C(=O)[C@H]2CC(C)[C@@H](C)CO2)CC1
InChIInChI=1S/C23H28FNO2/c1-5-17-11-12-25(23(26)21-13-15(3)16(4)14-27-21)22(20(17)6-2)18-7-9-19(24)10-8-18/h5-10,15-16,21-22H,1-2,11-14H2,3-4H3/t15?,16-,21+,22-/m0/s1
InChIKeyRZULPKTZDWQTBW-AHCKASEFSA-N
MW369.48 g/mol
LogP4.83
Rot. Bonds4

About [(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone

[(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone (PubChem CID 163401743) has the molecular formula C23H28FNO2 and a molecular weight of 369.48 g/mol. Its IUPAC name is [(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone.

Molecular Properties

Compound Name[(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone
PubChem CID163401743
Molecular FormulaC23H28FNO2
Molecular Weight369.48 g/mol
Exact Mass369.21
IUPAC Name[(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone
SMILESC=CC1=C(C=C)[C@H](c2ccc(F)cc2)N(C(=O)[C@H]2CC(C)[C@@H](C)CO2)CC1
InChIInChI=1S/C23H28FNO2/c1-5-17-11-12-25(23(26)21-13-15(3)16(4)14-27-21)22(20(17)6-2)18-7-9-19(24)10-8-18/h5-10,15-16,21-22H,1-2,11-14H2,3-4H3/t15?,16-,21+,22-/m0/s1
InChIKeyRZULPKTZDWQTBW-AHCKASEFSA-N
XLogP4.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 4333683
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 2368876
Lateritin
CID 194215
Bassiatin
CID 10038289
US10927128, Example 89
CID 135374653
US10927128, Example 71
CID 135374664
US10927128, Example 69
CID 135374765
US10927128, Example 84
CID 135374773
US10927128, Example 85
CID 135374927
US10927128, Example 70
CID 135374933
(3r,6r)-3-Benzyl-6-isopropyl-4-methylmorpholine-2,5-dione
CID 10084008

Frequently Asked Questions

What is the IUPAC name of [(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone?
The IUPAC name of [(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone (CID 163401743) is [(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone.
What is the SMILES notation for [(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone?
The canonical SMILES for [(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone is C=CC1=C(C=C)[C@H](c2ccc(F)cc2)N(C(=O)[C@H]2CC(C)[C@@H](C)CO2)CC1.
What is the InChIKey of [(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone?
The InChIKey is RZULPKTZDWQTBW-AHCKASEFSA-N. The full InChI is InChI=1S/C23H28FNO2/c1-5-17-11-12-25(23(26)21-13-15(3)16(4)14-27-21)22(20(17)6-2)18-7-9-19(24)10-8-18/h5-10,15-16,21-22H,1-2,11-14H2,3-4H3/t15?,16-,21+,22-/m0/s1.
What are the key properties of [(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone?
[(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone has a molecular weight of 369.48 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-4,5-bis(ethenyl)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2R,5R)-4,5-dimethyloxan-2-yl]methanone is sourced from PubChem (CID 163401743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).