(6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one

C28H33N3O3 — CID 59635681

IUPAC(6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
SMILESC[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CC[C@](CC(C)(C)N)(c2ccccc2)OC1=O
InChIInChI=1S/C28H33N3O3/c1-20(21-10-12-22(13-11-21)23-14-15-25(32)30(4)18-23)31-17-16-28(34-26(31)33,19-27(2,3)29)24-8-6-5-7-9-24/h5-15,18,20H,16-17,19,29H2,1-4H3/t20-,28-/m0/s1
InChIKeyMOBVQDPQNICMOF-MMTVBGGISA-N
MW459.59 g/mol
LogP4.98
Rot. Bonds6

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

(6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one (PubChem CID 59635681) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
PubChem CID59635681
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name(6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
SMILESC[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CC[C@](CC(C)(C)N)(c2ccccc2)OC1=O
InChIInChI=1S/C28H33N3O3/c1-20(21-10-12-22(13-11-21)23-14-15-25(32)30(4)18-23)31-17-16-28(34-26(31)33,19-27(2,3)29)24-8-6-5-7-9-24/h5-15,18,20H,16-17,19,29H2,1-4H3/t20-,28-/m0/s1
InChIKeyMOBVQDPQNICMOF-MMTVBGGISA-N
XLogP4.98
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 70933280
(6S)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-6-phenyl-1,3-oxazinan-2-one
CID 59635682
(6R)-6-(3-hydroxypropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 59635752
(6S)-6-(3-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 59635735
methyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate
CID 66600707
6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 66601031
6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one
CID 66857539
3-[1-[4-(1-cyclopropyl-6-oxopyridazin-3-yl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
CID 74818201
(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-2-methylidenepyrimidin-5-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 58485276
6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(1-methylbenzimidazol-5-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 66856543
(6R)-3-[(1S)-1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-methylprop-2-enyl)-6-phenyl-1,3-oxazinan-2-one
CID 58102364
(6R)-6-(2,2-dimethylbut-3-ynyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 73427554

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one (CID 59635681) is (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one is C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CC[C@](CC(C)(C)N)(c2ccccc2)OC1=O.
What is the InChIKey of (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is MOBVQDPQNICMOF-MMTVBGGISA-N. The full InChI is InChI=1S/C28H33N3O3/c1-20(21-10-12-22(13-11-21)23-14-15-25(32)30(4)18-23)31-17-16-28(34-26(31)33,19-27(2,3)29)24-8-6-5-7-9-24/h5-15,18,20H,16-17,19,29H2,1-4H3/t20-,28-/m0/s1.
What are the key properties of (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
(6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 459.59 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 59635681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).