2-[(E)-2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethenyl]pyridine

C34H33NO4 — CID 23658827

IUPAC2-[(E)-2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethenyl]pyridine
SMILESC1=C(/C=C/c2ccccn2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C34H33NO4/c1-4-12-27(13-5-1)23-36-26-33-34(38-25-29-16-8-3-9-17-29)32(37-24-28-14-6-2-7-15-28)22-31(39-33)20-19-30-18-10-11-21-35-30/h1-22,32-34H,23-26H2/b20-19+/t32-,33-,34+/m1/s1
InChIKeyWPKFUFLFGLASTP-QUWMDIRISA-N
MW519.64 g/mol
LogP6.77
Rot. Bonds12

About 2-[(E)-2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethenyl]pyridine

2-[(E)-2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethenyl]pyridine (PubChem CID 23658827) has the molecular formula C34H33NO4 and a molecular weight of 519.64 g/mol. Its IUPAC name is 2-[(E)-2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethenyl]pyridine.

Molecular Properties

Compound Name2-[(E)-2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethenyl]pyridine
PubChem CID23658827
Molecular FormulaC34H33NO4
Molecular Weight519.64 g/mol
Exact Mass519.24
IUPAC Name2-[(E)-2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethenyl]pyridine
SMILESC1=C(/C=C/c2ccccn2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C34H33NO4/c1-4-12-27(13-5-1)23-36-26-33-34(38-25-29-16-8-3-9-17-29)32(37-24-28-14-6-2-7-15-28)22-31(39-33)20-19-30-18-10-11-21-35-30/h1-22,32-34H,23-26H2/b20-19+/t32-,33-,34+/m1/s1
InChIKeyWPKFUFLFGLASTP-QUWMDIRISA-N
XLogP6.77
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.64
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-(Phenylmethoxy)ethyl)pyridine
CID 95767
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(pyridin-2-ylmethyl)phenyl]oxane-3,4,5-triol
CID 58843539
(R)-phenyl-[(3R,5S,6S)-6-phenyl-5-[(E)-3-pyridin-2-ylprop-2-enyl]oxan-3-yl]methanol
CID 71819538
2-(3-Benzyloxypropyl)pyridine
CID 122632851
4-(2-(Benzhydryloxy)ethyl)pyridine
CID 67057457
4-(1,4-Dioxan-2-yl)-2-phenylpyridine
CID 135025253
2-[4-[Difluoro-[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]oxymethyl]-3,5-difluorophenyl]-5-pentylpyridine
CID 58383352
2-[4-[Difluoro-[4-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]oxymethyl]-3-fluorophenyl]-5-pentylpyridine
CID 58383552
2-[2-[Bis(4-fluorophenyl)methoxy]ethyl]pyridine
CID 67649607
5-[4-[2-[4-[4-(Ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluorophenyl]-2-methylpyridine
CID 68368702
2-[[3-(Butoxymethyl)-3,5-dihydro-1,2-benzodioxin-6-yl]-[(3-fluorophenyl)methoxy]methyl]pyridine
CID 88137662
2-[difluoro-[4-[(E)-2-[4-[(4-fluorophenyl)methoxy]cyclohexyl]ethenyl]cyclohexyl]oxymethyl]-5-methylpyridine
CID 122502370

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethenyl]pyridine?
The IUPAC name of 2-[(E)-2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethenyl]pyridine (CID 23658827) is 2-[(E)-2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethenyl]pyridine.
What is the SMILES notation for 2-[(E)-2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethenyl]pyridine?
The canonical SMILES for 2-[(E)-2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethenyl]pyridine is C1=C(/C=C/c2ccccn2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of 2-[(E)-2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethenyl]pyridine?
The InChIKey is WPKFUFLFGLASTP-QUWMDIRISA-N. The full InChI is InChI=1S/C34H33NO4/c1-4-12-27(13-5-1)23-36-26-33-34(38-25-29-16-8-3-9-17-29)32(37-24-28-14-6-2-7-15-28)22-31(39-33)20-19-30-18-10-11-21-35-30/h1-22,32-34H,23-26H2/b20-19+/t32-,33-,34+/m1/s1.
What are the key properties of 2-[(E)-2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethenyl]pyridine?
2-[(E)-2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethenyl]pyridine has a molecular weight of 519.64 g/mol, XLogP of 6.77, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-yl]ethenyl]pyridine is sourced from PubChem (CID 23658827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).