(6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one

C27H30N2O5 — CID 70833697

IUPAC(6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
SMILESC[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@@](c2ccccc2)([C@@](C)(O)CO)OC1=O
InChIInChI=1S/C27H30N2O5/c1-19(20-9-11-21(12-10-20)22-13-15-28(3)24(31)17-22)29-16-14-27(34-25(29)32,26(2,33)18-30)23-7-5-4-6-8-23/h4-13,15,17,19,30,33H,14,16,18H2,1-3H3/t19-,26-,27+/m0/s1
InChIKeyYDCWGFFHSCODMJ-FNLHRSDSSA-N
MW462.55 g/mol
LogP3.59
Rot. Bonds6

About (6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one

(6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one (PubChem CID 70833697) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is (6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
PubChem CID70833697
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Name(6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
SMILESC[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@@](c2ccccc2)([C@@](C)(O)CO)OC1=O
InChIInChI=1S/C27H30N2O5/c1-19(20-9-11-21(12-10-20)22-13-15-28(3)24(31)17-22)29-16-14-27(34-25(29)32,26(2,33)18-30)23-7-5-4-6-8-23/h4-13,15,17,19,30,33H,14,16,18H2,1-3H3/t19-,26-,27+/m0/s1
InChIKeyYDCWGFFHSCODMJ-FNLHRSDSSA-N
XLogP3.59
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one 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 (6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of (6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one (CID 70833697) is (6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one is C[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@@](c2ccccc2)([C@@](C)(O)CO)OC1=O.
What is the InChIKey of (6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is YDCWGFFHSCODMJ-FNLHRSDSSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-19(20-9-11-21(12-10-20)22-13-15-28(3)24(31)17-22)29-16-14-27(34-25(29)32,26(2,33)18-30)23-7-5-4-6-8-23/h4-13,15,17,19,30,33H,14,16,18H2,1-3H3/t19-,26-,27+/m0/s1.
What are the key properties of (6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
(6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 462.55 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 70833697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).