dipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate

C57H64K2N6O12 — CID 159981332

IUPACdipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate
SMILESC[C@@H](c1ccc(-c2ccc(C#N)cn2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O.C[C@@H](c1ccc(-c2ccc(C(N)=O)cn2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O.O=CO[O-].OO.[H-].[K+].[K+]
InChIInChI=1S/C28H31N3O4.C28H29N3O3.CH2O3.2K.H2O2.H/c1-19(20-9-11-21(12-10-20)24-14-13-22(17-30-24)25(29)32)31-16-15-28(35-26(31)33,18-27(2,3)34)23-7-5-4-6-8-23;1-20(22-10-12-23(13-11-22)25-14-9-21(17-29)18-30-25)31-16-15-28(34-26(31)32,19-27(2,3)33)24-7-5-4-6-8-24;2-1-4-3;;;1-2;/h4-14,17,19,34H,15-16,18H2,1-3H3,(H2,29,32);4-14,18,20,33H,15-16,19H2,1-3H3;1,3H;;;1-2H;/q;;;2*+1;;-1/p-1/t19-,28-;20-,28-;;;;;/m00...../s1
InChIKeyHZVQRLJGERNAJF-MCVXQJOVSA-M
MW1103.37 g/mol
LogP2.96
Rot. Bonds14

About dipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate

dipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate (PubChem CID 159981332) has the molecular formula C57H64K2N6O12 and a molecular weight of 1103.37 g/mol. Its IUPAC name is dipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate.

Molecular Properties

Compound Namedipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate
PubChem CID159981332
Molecular FormulaC57H64K2N6O12
Molecular Weight1103.37 g/mol
Exact Mass1102.39
IUPAC Namedipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate
SMILESC[C@@H](c1ccc(-c2ccc(C#N)cn2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O.C[C@@H](c1ccc(-c2ccc(C(N)=O)cn2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O.O=CO[O-].OO.[H-].[K+].[K+]
InChIInChI=1S/C28H31N3O4.C28H29N3O3.CH2O3.2K.H2O2.H/c1-19(20-9-11-21(12-10-20)24-14-13-22(17-30-24)25(29)32)31-16-15-28(35-26(31)33,18-27(2,3)34)23-7-5-4-6-8-23;1-20(22-10-12-23(13-11-22)25-14-9-21(17-29)18-30-25)31-16-15-28(34-26(31)32,19-27(2,3)33)24-7-5-4-6-8-24;2-1-4-3;;;1-2;/h4-14,17,19,34H,15-16,18H2,1-3H3,(H2,29,32);4-14,18,20,33H,15-16,19H2,1-3H3;1,3H;;;1-2H;/q;;;2*+1;;-1/p-1/t19-,28-;20-,28-;;;;;/m00...../s1
InChIKeyHZVQRLJGERNAJF-MCVXQJOVSA-M
XLogP2.96
TPSA282.02 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001103.37
LogP ≤ 52.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate with MolForge

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Launch Full Analysis

Related Compounds

6-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide
CID 90984725
1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-3-pyridinyl]cyclopropane-1-carbonitrile
CID 70651286
6-[4-[1-[6-(3-hydroxypropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide
CID 91199263
6-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazine-3-carboxylic acid
CID 67446432
(6S)-6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[5-[(S)-methylsulfinyl]-2-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 67019786
N'-acetyl-3-[(6R)-3-[(1S)-1-[4-(5-cyano-2-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide
CID 58485366
3-[(1S)-1-(4-ethynylphenyl)ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
CID 87184778
N-tert-butyl-6-[4-[(1S)-1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazine-3-carboxamide
CID 67019726
6-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one
CID 66858483
1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazin-3-yl]-N-methylcyclopropane-1-carboxamide
CID 70652086
N-tert-butyl-5-[4-[(1S)-1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyrimidine-2-carboxamide
CID 67019743
(6S)-6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[4-[(S)-methylsulfinyl]-2-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 67023373

Frequently Asked Questions

What is the IUPAC name of dipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate?
The IUPAC name of dipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate (CID 159981332) is dipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate.
What is the SMILES notation for dipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate?
The canonical SMILES for dipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate is C[C@@H](c1ccc(-c2ccc(C#N)cn2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O.C[C@@H](c1ccc(-c2ccc(C(N)=O)cn2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O.O=CO[O-].OO.[H-].[K+].[K+].
What is the InChIKey of dipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate?
The InChIKey is HZVQRLJGERNAJF-MCVXQJOVSA-M. The full InChI is InChI=1S/C28H31N3O4.C28H29N3O3.CH2O3.2K.H2O2.H/c1-19(20-9-11-21(12-10-20)24-14-13-22(17-30-24)25(29)32)31-16-15-28(35-26(31)33,18-27(2,3)34)23-7-5-4-6-8-23;1-20(22-10-12-23(13-11-22)25-14-9-21(17-29)18-30-25)31-16-15-28(34-26(31)32,19-27(2,3)33)24-7-5-4-6-8-24;2-1-4-3;;;1-2;/h4-14,17,19,34H,15-16,18H2,1-3H3,(H2,29,32);4-14,18,20,33H,15-16,19H2,1-3H3;1,3H;;;1-2H;/q;;;2*+1;;-1/p-1/t19-,28-;20-,28-;;;;;/m00...../s1.
What are the key properties of dipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate?
dipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate has a molecular weight of 1103.37 g/mol, XLogP of 2.96, 14 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;hydride;hydrogen peroxide;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carbonitrile;6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide;oxido formate is sourced from PubChem (CID 159981332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).