(6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;molecular hydrogen

C26H27FN2O3 — CID 143930346

About (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;molecular hydrogen

(6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;molecular hydrogen (PubChem CID 143930346) has the molecular formula C26H27FN2O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;molecular hydrogen.

Molecular Properties

• Compound Name: (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;molecular hydrogen
• PubChem CID: 143930346
• Molecular Formula: C26H27FN2O3
• Molecular Weight: 434.51 g/mol
• Exact Mass: 434.20
• IUPAC Name: (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;molecular hydrogen
• SMILES: C=CC[C@]1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(-c3ccc(=O)[nH]c3)cc2)C(=O)O1.[H][H]
• InChI: InChI=1S/C26H25FN2O3.H2/c1-3-14-26(22-9-11-23(27)12-10-22)15-16-29(25(31)32-26)18(2)19-4-6-20(7-5-19)21-8-13-24(30)28-17-21;/h3-13,17-18H,1,14-16H2,2H3,(H,28,30);1H/t18-,26+;/m0./s1
• InChIKey: VVVOWZVNPUDADG-RJEJWSCMSA-N
• XLogP: 5.80
• TPSA: 62.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.51
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;molecular hydrogen?

The IUPAC name of (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;molecular hydrogen (CID 143930346) is (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;molecular hydrogen.

What is the SMILES notation for (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;molecular hydrogen?

The canonical SMILES for (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;molecular hydrogen is C=CC[C@]1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(-c3ccc(=O)[nH]c3)cc2)C(=O)O1.[H][H].

What is the InChIKey of (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;molecular hydrogen?

The InChIKey is VVVOWZVNPUDADG-RJEJWSCMSA-N. The full InChI is InChI=1S/C26H25FN2O3.H2/c1-3-14-26(22-9-11-23(27)12-10-22)15-16-29(25(31)32-26)18(2)19-4-6-20(7-5-19)21-8-13-24(30)28-17-21;/h3-13,17-18H,1,14-16H2,2H3,(H,28,30);1H/t18-,26+;/m0./s1.

What are the key properties of (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;molecular hydrogen?

(6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;molecular hydrogen has a molecular weight of 434.51 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;molecular hydrogen is sourced from PubChem (CID 143930346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).