4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide

C11H14N2O6 — CID 127053064

IUPAC4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide
SMILESNC(=O)c1nccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O
InChIInChI=1S/C11H14N2O6/c12-11(18)6-7(15)4(1-2-13-6)10-9(17)8(16)5(3-14)19-10/h1-2,5,8-10,14-17H,3H2,(H2,12,18)/t5-,8-,9-,10+/m1/s1
InChIKeyQZWOXIRGCCWTDN-KBHCAIDQSA-N
MW270.24 g/mol
LogP-1.96
Rot. Bonds3

About 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide

4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide (PubChem CID 127053064) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide
PubChem CID127053064
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide
SMILESNC(=O)c1nccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O
InChIInChI=1S/C11H14N2O6/c12-11(18)6-7(15)4(1-2-13-6)10-9(17)8(16)5(3-14)19-10/h1-2,5,8-10,14-17H,3H2,(H2,12,18)/t5-,8-,9-,10+/m1/s1
InChIKeyQZWOXIRGCCWTDN-KBHCAIDQSA-N
XLogP-1.96
TPSA146.13 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-1.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide (CID 127053064) is 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide is NC(=O)c1nccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O.
What is the InChIKey of 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is QZWOXIRGCCWTDN-KBHCAIDQSA-N. The full InChI is InChI=1S/C11H14N2O6/c12-11(18)6-7(15)4(1-2-13-6)10-9(17)8(16)5(3-14)19-10/h1-2,5,8-10,14-17H,3H2,(H2,12,18)/t5-,8-,9-,10+/m1/s1.
What are the key properties of 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide?
4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 270.24 g/mol, XLogP of -1.96, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 127053064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).