N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide

C12H17N3O6 — CID 3116838

IUPACN'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide
SMILESO=C(NNC1OC(CO)C(O)C(O)C1O)c1cccnc1
InChIInChI=1S/C12H17N3O6/c16-5-7-8(17)9(18)10(19)12(21-7)15-14-11(20)6-2-1-3-13-4-6/h1-4,7-10,12,15-19H,5H2,(H,14,20)
InChIKeyHBQKBRKBONOBMU-UHFFFAOYSA-N
MW299.28 g/mol
LogP-2.88
Rot. Bonds4

About N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide

N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide (PubChem CID 3116838) has the molecular formula C12H17N3O6 and a molecular weight of 299.28 g/mol. Its IUPAC name is N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide
PubChem CID3116838
Molecular FormulaC12H17N3O6
Molecular Weight299.28 g/mol
Exact Mass299.11
IUPAC NameN'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide
SMILESO=C(NNC1OC(CO)C(O)C(O)C1O)c1cccnc1
InChIInChI=1S/C12H17N3O6/c16-5-7-8(17)9(18)10(19)12(21-7)15-14-11(20)6-2-1-3-13-4-6/h1-4,7-10,12,15-19H,5H2,(H,14,20)
InChIKeyHBQKBRKBONOBMU-UHFFFAOYSA-N
XLogP-2.88
TPSA144.17 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.28
LogP ≤ 5-2.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide (CID 3116838) is N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide is O=C(NNC1OC(CO)C(O)C(O)C1O)c1cccnc1.
What is the InChIKey of N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide?
The InChIKey is HBQKBRKBONOBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O6/c16-5-7-8(17)9(18)10(19)12(21-7)15-14-11(20)6-2-1-3-13-4-6/h1-4,7-10,12,15-19H,5H2,(H,14,20).
What are the key properties of N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide?
N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide has a molecular weight of 299.28 g/mol, XLogP of -2.88, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 3116838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).