N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide

C16H17N3O6 — CID 163464564

IUPACN-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(O)C1O)c1ccccc1
InChIInChI=1S/C16H17N3O6/c20-11-6-7-19(16(24)18-11)15-13(22)12(21)10(25-15)8-17-14(23)9-4-2-1-3-5-9/h1-7,10,12-13,15,21-22H,8H2,(H,17,23)(H,18,20,24)/t10-,12?,13?,15-/m1/s1
InChIKeyBRKWFBYFMWFINT-DPBOGPHSSA-N
MW347.33 g/mol
LogP-1.41
Rot. Bonds4

About N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide

N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide (PubChem CID 163464564) has the molecular formula C16H17N3O6 and a molecular weight of 347.33 g/mol. Its IUPAC name is N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
PubChem CID163464564
Molecular FormulaC16H17N3O6
Molecular Weight347.33 g/mol
Exact Mass347.11
IUPAC NameN-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(O)C1O)c1ccccc1
InChIInChI=1S/C16H17N3O6/c20-11-6-7-19(16(24)18-11)15-13(22)12(21)10(25-15)8-17-14(23)9-4-2-1-3-5-9/h1-7,10,12-13,15,21-22H,8H2,(H,17,23)(H,18,20,24)/t10-,12?,13?,15-/m1/s1
InChIKeyBRKWFBYFMWFINT-DPBOGPHSSA-N
XLogP-1.41
TPSA133.65 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3S)-N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N'-[2-[[(2S,3S)-4-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]ethyl]-2,3-dihydroxybutanediamide
CID 171348003
N-[[(2R,3S,5R)-3-amino-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide
CID 10735166
2-[2-[[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylcarbamoyloxy]ethoxy]ethyl N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]carbamate
CID 171355225
[(2R,3S,4R,5R)-4-azido-5-(benzamidomethyl)-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 15755572
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6029
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]pyrimidine-2,4-dione
CID 76973315
1-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 638039
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4)pyrimidine-2,4-dione
CID 171037880
CID 70523066
CID 70523066
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrofluoride
CID 159318740
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
CID 23616153
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylcarbamoyloxy-(3-phenoxyphenyl)methyl]phosphonic acid
CID 162669019

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide (CID 163464564) is N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(O)C1O)c1ccccc1.
What is the InChIKey of N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide?
The InChIKey is BRKWFBYFMWFINT-DPBOGPHSSA-N. The full InChI is InChI=1S/C16H17N3O6/c20-11-6-7-19(16(24)18-11)15-13(22)12(21)10(25-15)8-17-14(23)9-4-2-1-3-5-9/h1-7,10,12-13,15,21-22H,8H2,(H,17,23)(H,18,20,24)/t10-,12?,13?,15-/m1/s1.
What are the key properties of N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide?
N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide has a molecular weight of 347.33 g/mol, XLogP of -1.41, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 163464564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).