N'-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridine-3-carbohydrazide

C11H15N3O5 — CID 2825762

IUPACN'-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridine-3-carbohydrazide
SMILESO=C(NNC1OC[C@H](O)[C@H](O)[C@H]1O)c1cccnc1
InChIInChI=1S/C11H15N3O5/c15-7-5-19-11(9(17)8(7)16)14-13-10(18)6-2-1-3-12-4-6/h1-4,7-9,11,14-17H,5H2,(H,13,18)/t7-,8-,9+,11?/m0/s1
InChIKeyPSDNVDRXIHPBOY-CAWYRIKXSA-N
MW269.26 g/mol
LogP-2.24
Rot. Bonds3

About N'-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridine-3-carbohydrazide

N'-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridine-3-carbohydrazide (PubChem CID 2825762) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is N'-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridine-3-carbohydrazide
PubChem CID2825762
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC NameN'-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridine-3-carbohydrazide
SMILESO=C(NNC1OC[C@H](O)[C@H](O)[C@H]1O)c1cccnc1
InChIInChI=1S/C11H15N3O5/c15-7-5-19-11(9(17)8(7)16)14-13-10(18)6-2-1-3-12-4-6/h1-4,7-9,11,14-17H,5H2,(H,13,18)/t7-,8-,9+,11?/m0/s1
InChIKeyPSDNVDRXIHPBOY-CAWYRIKXSA-N
XLogP-2.24
TPSA123.94 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-2.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridine-3-carbohydrazide (CID 2825762) is N'-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridine-3-carbohydrazide is O=C(NNC1OC[C@H](O)[C@H](O)[C@H]1O)c1cccnc1.
What is the InChIKey of N'-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridine-3-carbohydrazide?
The InChIKey is PSDNVDRXIHPBOY-CAWYRIKXSA-N. The full InChI is InChI=1S/C11H15N3O5/c15-7-5-19-11(9(17)8(7)16)14-13-10(18)6-2-1-3-12-4-6/h1-4,7-9,11,14-17H,5H2,(H,13,18)/t7-,8-,9+,11?/m0/s1.
What are the key properties of N'-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridine-3-carbohydrazide?
N'-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridine-3-carbohydrazide has a molecular weight of 269.26 g/mol, XLogP of -2.24, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 2825762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).