N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(pyridine-4-carbonyl)hydrazinyl]oxan-3-yl]acetamide

C14H20N4O6 — CID 3041044

About N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(pyridine-4-carbonyl)hydrazinyl]oxan-3-yl]acetamide

N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(pyridine-4-carbonyl)hydrazinyl]oxan-3-yl]acetamide (PubChem CID 3041044) has the molecular formula C14H20N4O6 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(pyridine-4-carbonyl)hydrazinyl]oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(pyridine-4-carbonyl)hydrazinyl]oxan-3-yl]acetamide
• PubChem CID: 3041044
• Molecular Formula: C14H20N4O6
• Molecular Weight: 340.34 g/mol
• Exact Mass: 340.14
• IUPAC Name: N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(pyridine-4-carbonyl)hydrazinyl]oxan-3-yl]acetamide
• SMILES: CC(=O)N[C@H]1C(NNC(=O)c2ccncc2)O[C@H](CO)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C14H20N4O6/c1-7(20)16-10-12(22)11(21)9(6-19)24-14(10)18-17-13(23)8-2-4-15-5-3-8/h2-5,9-12,14,18-19,21-22H,6H2,1H3,(H,16,20)(H,17,23)/t9-,10-,11-,12-,14?/m1/s1
• InChIKey: HROQIODYWLZFIZ-WJVRHOARSA-N
• XLogP: -2.74
• TPSA: 153.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	340.34
LogP ≤ 5	-2.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(pyridine-4-carbonyl)hydrazinyl]oxan-3-yl]acetamide?

The IUPAC name of N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(pyridine-4-carbonyl)hydrazinyl]oxan-3-yl]acetamide (CID 3041044) is N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(pyridine-4-carbonyl)hydrazinyl]oxan-3-yl]acetamide.

What is the SMILES notation for N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(pyridine-4-carbonyl)hydrazinyl]oxan-3-yl]acetamide?

The canonical SMILES for N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(pyridine-4-carbonyl)hydrazinyl]oxan-3-yl]acetamide is CC(=O)N[C@H]1C(NNC(=O)c2ccncc2)O[C@H](CO)[C@@H](O)[C@@H]1O.

What is the InChIKey of N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(pyridine-4-carbonyl)hydrazinyl]oxan-3-yl]acetamide?

The InChIKey is HROQIODYWLZFIZ-WJVRHOARSA-N. The full InChI is InChI=1S/C14H20N4O6/c1-7(20)16-10-12(22)11(21)9(6-19)24-14(10)18-17-13(23)8-2-4-15-5-3-8/h2-5,9-12,14,18-19,21-22H,6H2,1H3,(H,16,20)(H,17,23)/t9-,10-,11-,12-,14?/m1/s1.

What are the key properties of N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(pyridine-4-carbonyl)hydrazinyl]oxan-3-yl]acetamide?

N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(pyridine-4-carbonyl)hydrazinyl]oxan-3-yl]acetamide has a molecular weight of 340.34 g/mol, XLogP of -2.74, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(pyridine-4-carbonyl)hydrazinyl]oxan-3-yl]acetamide is sourced from PubChem (CID 3041044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).