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

C12H17N3O5 — CID 40528769

IUPACN'-[(2R,3S,4S,5S,6R)-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-/m1/s1
InChIKeyPHGDMDPCAKZNGO-PHXRMZQKSA-N
MW283.28 g/mol
LogP-1.86
Rot. Bonds3

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

N'-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide (PubChem CID 40528769) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is N'-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide
PubChem CID40528769
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC NameN'-[(2R,3S,4S,5S,6R)-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-/m1/s1
InChIKeyPHGDMDPCAKZNGO-PHXRMZQKSA-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'}

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

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Related Compounds

N'-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide
CID 124582478
N'-(4-methylcyclohexyl)pyridine-4-carbohydrazide
CID 27260
1-[4-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]phenyl]ethanone
CID 7098130
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide
CID 59037446
N'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide
CID 7714424
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
CID 66222895
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
3-hydroxy-N-[(1R,2S)-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]carbamoyl]cyclohexyl]benzamide
CID 54672553
methyl N-(pyridine-4-carbonylamino)carbamodithioate
CID 3000602
N'-[(2R)-2-aminopropanoyl]pyridine-4-carbohydrazide
CID 24838770
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241

Frequently Asked Questions

What is the IUPAC name of N'-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide (CID 40528769) is N'-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[(2R,3S,4S,5S,6R)-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'-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide?
The InChIKey is PHGDMDPCAKZNGO-PHXRMZQKSA-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-/m1/s1.
What are the key properties of N'-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide?
N'-[(2R,3S,4S,5S,6R)-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'-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 40528769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).