pyridin-3-yl-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methanone

C20H20N2O6 — CID 23266058

IUPACpyridin-3-yl-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methanone
SMILESO=C(c1cccnc1)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12
InChIInChI=1S/C20H20N2O6/c23-10-15-17(25)18(26)19(27)20(28-15)22-9-13(12-5-1-2-6-14(12)22)16(24)11-4-3-7-21-8-11/h1-9,15,17-20,23,25-27H,10H2/t15-,17-,18+,19-,20-/m1/s1
InChIKeyUFRQOVZIQIBOMZ-XIKSMUEASA-N
MW384.39 g/mol
LogP0.24
Rot. Bonds4

About pyridin-3-yl-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methanone

pyridin-3-yl-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methanone (PubChem CID 23266058) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is pyridin-3-yl-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methanone
PubChem CID23266058
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Namepyridin-3-yl-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methanone
SMILESO=C(c1cccnc1)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12
InChIInChI=1S/C20H20N2O6/c23-10-15-17(25)18(26)19(27)20(28-15)22-9-13(12-5-1-2-6-14(12)22)16(24)11-4-3-7-21-8-11/h1-9,15,17-20,23,25-27H,10H2/t15-,17-,18+,19-,20-/m1/s1
InChIKeyUFRQOVZIQIBOMZ-XIKSMUEASA-N
XLogP0.24
TPSA125.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indole-3-carbaldehyde
CID 124526093
1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indole-3-carbaldehyde
CID 95045363
2-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]acetate
CID 57466632
(2S)-2-amino-3-[1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]propanoic acid
CID 91343590
1-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]quinolin-4-one
CID 118450077
bis((2S,3R,4S,5S,6R)-2-[3-[(4-ethylphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol);hydrate
CID 90283056
ethanol;(2R,3R,4S,5S,6R)-2-[3-[(4-ethylphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71473769
[6-[[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methyl]naphthalen-2-yl] acetate
CID 59739887
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;1-pyridin-3-ylethanone
CID 70497378
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(4-pyridin-3-yltriazol-1-yl)oxane-3,4,5-triol
CID 46885373
(2R,3R,4S,5S,6R)-2-[3-(4-ethylphenyl)sulfanylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59740283
N'-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide
CID 7378080

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methanone?
The IUPAC name of pyridin-3-yl-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methanone (CID 23266058) is pyridin-3-yl-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methanone?
The canonical SMILES for pyridin-3-yl-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methanone is O=C(c1cccnc1)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12.
What is the InChIKey of pyridin-3-yl-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methanone?
The InChIKey is UFRQOVZIQIBOMZ-XIKSMUEASA-N. The full InChI is InChI=1S/C20H20N2O6/c23-10-15-17(25)18(26)19(27)20(28-15)22-9-13(12-5-1-2-6-14(12)22)16(24)11-4-3-7-21-8-11/h1-9,15,17-20,23,25-27H,10H2/t15-,17-,18+,19-,20-/m1/s1.
What are the key properties of pyridin-3-yl-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methanone?
pyridin-3-yl-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methanone has a molecular weight of 384.39 g/mol, XLogP of 0.24, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methanone is sourced from PubChem (CID 23266058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).