N'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide

C12H17N3O5 — CID 124582478

IUPACN'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide
SMILESC[C@@H]1O[C@H](NNC(=O)c2ccncc2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H17N3O5/c1-6-8(16)9(17)10(18)12(20-6)15-14-11(19)7-2-4-13-5-3-7/h2-6,8-10,12,15-18H,1H3,(H,14,19)/t6-,8-,9-,10+,12-/m0/s1
InChIKeyPHGDMDPCAKZNGO-CEAFUOJOSA-N
MW283.28 g/mol
LogP-1.86
Rot. Bonds3

About N'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide

N'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide (PubChem CID 124582478) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is N'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide
PubChem CID124582478
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC NameN'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide
SMILESC[C@@H]1O[C@H](NNC(=O)c2ccncc2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H17N3O5/c1-6-8(16)9(17)10(18)12(20-6)15-14-11(19)7-2-4-13-5-3-7/h2-6,8-10,12,15-18H,1H3,(H,14,19)/t6-,8-,9-,10+,12-/m0/s1
InChIKeyPHGDMDPCAKZNGO-CEAFUOJOSA-N
XLogP-1.86
TPSA123.94 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.86
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'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide (CID 124582478) is N'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide is C[C@@H]1O[C@H](NNC(=O)c2ccncc2)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of N'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide?
The InChIKey is PHGDMDPCAKZNGO-CEAFUOJOSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-6-8(16)9(17)10(18)12(20-6)15-14-11(19)7-2-4-13-5-3-7/h2-6,8-10,12,15-18H,1H3,(H,14,19)/t6-,8-,9-,10+,12-/m0/s1.
What are the key properties of N'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide?
N'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide has a molecular weight of 283.28 g/mol, XLogP of -1.86, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 124582478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).