(3S,4R,6E)-3-hydroxy-4-methyl-6-(pyridin-2-ylhydrazinylidene)hexanamide

C12H18N4O2 — CID 118374673

IUPAC(3S,4R,6E)-3-hydroxy-4-methyl-6-(pyridin-2-ylhydrazinylidene)hexanamide
SMILESC[C@H](C/C=N/Nc1ccccn1)[C@@H](O)CC(N)=O
InChIInChI=1S/C12H18N4O2/c1-9(10(17)8-11(13)18)5-7-15-16-12-4-2-3-6-14-12/h2-4,6-7,9-10,17H,5,8H2,1H3,(H2,13,18)(H,14,16)/b15-7+/t9-,10+/m1/s1
InChIKeyXRNFWBNYHDMPSD-ZSCZGBHHSA-N
MW250.30 g/mol
LogP0.74
Rot. Bonds7

About (3S,4R,6E)-3-hydroxy-4-methyl-6-(pyridin-2-ylhydrazinylidene)hexanamide

(3S,4R,6E)-3-hydroxy-4-methyl-6-(pyridin-2-ylhydrazinylidene)hexanamide (PubChem CID 118374673) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3S,4R,6E)-3-hydroxy-4-methyl-6-(pyridin-2-ylhydrazinylidene)hexanamide.

Molecular Properties

Compound Name(3S,4R,6E)-3-hydroxy-4-methyl-6-(pyridin-2-ylhydrazinylidene)hexanamide
PubChem CID118374673
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(3S,4R,6E)-3-hydroxy-4-methyl-6-(pyridin-2-ylhydrazinylidene)hexanamide
SMILESC[C@H](C/C=N/Nc1ccccn1)[C@@H](O)CC(N)=O
InChIInChI=1S/C12H18N4O2/c1-9(10(17)8-11(13)18)5-7-15-16-12-4-2-3-6-14-12/h2-4,6-7,9-10,17H,5,8H2,1H3,(H2,13,18)(H,14,16)/b15-7+/t9-,10+/m1/s1
InChIKeyXRNFWBNYHDMPSD-ZSCZGBHHSA-N
XLogP0.74
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,6E)-3-hydroxy-4-methyl-6-(pyridin-2-ylhydrazinylidene)hexanamide?
The IUPAC name of (3S,4R,6E)-3-hydroxy-4-methyl-6-(pyridin-2-ylhydrazinylidene)hexanamide (CID 118374673) is (3S,4R,6E)-3-hydroxy-4-methyl-6-(pyridin-2-ylhydrazinylidene)hexanamide.
What is the SMILES notation for (3S,4R,6E)-3-hydroxy-4-methyl-6-(pyridin-2-ylhydrazinylidene)hexanamide?
The canonical SMILES for (3S,4R,6E)-3-hydroxy-4-methyl-6-(pyridin-2-ylhydrazinylidene)hexanamide is C[C@H](C/C=N/Nc1ccccn1)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R,6E)-3-hydroxy-4-methyl-6-(pyridin-2-ylhydrazinylidene)hexanamide?
The InChIKey is XRNFWBNYHDMPSD-ZSCZGBHHSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(10(17)8-11(13)18)5-7-15-16-12-4-2-3-6-14-12/h2-4,6-7,9-10,17H,5,8H2,1H3,(H2,13,18)(H,14,16)/b15-7+/t9-,10+/m1/s1.
What are the key properties of (3S,4R,6E)-3-hydroxy-4-methyl-6-(pyridin-2-ylhydrazinylidene)hexanamide?
(3S,4R,6E)-3-hydroxy-4-methyl-6-(pyridin-2-ylhydrazinylidene)hexanamide has a molecular weight of 250.30 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6E)-3-hydroxy-4-methyl-6-(pyridin-2-ylhydrazinylidene)hexanamide is sourced from PubChem (CID 118374673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).