[3-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-pyridinyl] N,N-diphenylcarbamate

C25H24N2O6 — CID 10003784

IUPAC[3-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-pyridinyl] N,N-diphenylcarbamate
SMILESC=Cc1c(OC(=O)N(c2ccccc2)c2ccccc2)ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c1=O
InChIInChI=1S/C25H24N2O6/c1-2-19-21(13-14-26(24(19)30)23-15-20(29)22(16-28)32-23)33-25(31)27(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h2-14,20,22-23,28-29H,1,15-16H2/t20-,22+,23+/m0/s1
InChIKeyDGFBSZUFMBWXJQ-MDNUFGMLSA-N
MW448.48 g/mol
LogP3.47
Rot. Bonds6

About [3-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-pyridinyl] N,N-diphenylcarbamate

[3-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-pyridinyl] N,N-diphenylcarbamate (PubChem CID 10003784) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is [3-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-pyridinyl] N,N-diphenylcarbamate.

Molecular Properties

Compound Name[3-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-pyridinyl] N,N-diphenylcarbamate
PubChem CID10003784
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC Name[3-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-pyridinyl] N,N-diphenylcarbamate
SMILESC=Cc1c(OC(=O)N(c2ccccc2)c2ccccc2)ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c1=O
InChIInChI=1S/C25H24N2O6/c1-2-19-21(13-14-26(24(19)30)23-15-20(29)22(16-28)32-23)33-25(31)27(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h2-14,20,22-23,28-29H,1,15-16H2/t20-,22+,23+/m0/s1
InChIKeyDGFBSZUFMBWXJQ-MDNUFGMLSA-N
XLogP3.47
TPSA101.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-phenylurea
CID 15375899
3,4-dihydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-2-one
CID 102088718
[6-[(E)-1-(dimethylamino)ethylideneamino]-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl] N,N-diphenylcarbamate
CID 177423574
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenacylpyrimidine-2,4-dione
CID 11187066
[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate
CID 176863778
3-benzoyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 59718464
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-4-sulfanylidenepyrimidin-2-one
CID 22875283
3-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
CID 91560968
3-benzoyl-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57316539
N-[1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexanamide
CID 155602775
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-2-one
CID 100999002

Frequently Asked Questions

What is the IUPAC name of [3-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-pyridinyl] N,N-diphenylcarbamate?
The IUPAC name of [3-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-pyridinyl] N,N-diphenylcarbamate (CID 10003784) is [3-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-pyridinyl] N,N-diphenylcarbamate.
What is the SMILES notation for [3-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-pyridinyl] N,N-diphenylcarbamate?
The canonical SMILES for [3-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-pyridinyl] N,N-diphenylcarbamate is C=Cc1c(OC(=O)N(c2ccccc2)c2ccccc2)ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c1=O.
What is the InChIKey of [3-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-pyridinyl] N,N-diphenylcarbamate?
The InChIKey is DGFBSZUFMBWXJQ-MDNUFGMLSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-2-19-21(13-14-26(24(19)30)23-15-20(29)22(16-28)32-23)33-25(31)27(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h2-14,20,22-23,28-29H,1,15-16H2/t20-,22+,23+/m0/s1.
What are the key properties of [3-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-pyridinyl] N,N-diphenylcarbamate?
[3-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-pyridinyl] N,N-diphenylcarbamate has a molecular weight of 448.48 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-pyridinyl] N,N-diphenylcarbamate is sourced from PubChem (CID 10003784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).