N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide

C16H17N3O2 — CID 135076885

IUPACN'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide
SMILESO=C(NNC(/C=C/c1ccccc1)CO)c1cccnc1
InChIInChI=1S/C16H17N3O2/c20-12-15(9-8-13-5-2-1-3-6-13)18-19-16(21)14-7-4-10-17-11-14/h1-11,15,18,20H,12H2,(H,19,21)/b9-8+
InChIKeyDXDFSCGFSAPMLW-CMDGGOBGSA-N
MW283.33 g/mol
LogP1.39
Rot. Bonds6

About N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide

N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide (PubChem CID 135076885) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide
PubChem CID135076885
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide
SMILESO=C(NNC(/C=C/c1ccccc1)CO)c1cccnc1
InChIInChI=1S/C16H17N3O2/c20-12-15(9-8-13-5-2-1-3-6-13)18-19-16(21)14-7-4-10-17-11-14/h1-11,15,18,20H,12H2,(H,19,21)/b9-8+
InChIKeyDXDFSCGFSAPMLW-CMDGGOBGSA-N
XLogP1.39
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide
CID 35152458
N'-(2-phenylprop-1-enyl)pyridine-3-carbohydrazide
CID 4745339
N-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
CID 129173018
N-(2-bromo-1-phenylethyl)pyridine-3-carboxamide
CID 113274720
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175
N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide
CID 103751046
N-benzylpyridine-3-carboxamide chloride
CID 21204170
acetic acid;copper;bis((E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one)
CID 134081608
4-methylidene-2-(pyridine-3-carbonylamino)hex-5-enoic acid
CID 123350305
N-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide
CID 89169267
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
CID 47311353

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide (CID 135076885) is N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide is O=C(NNC(/C=C/c1ccccc1)CO)c1cccnc1.
What is the InChIKey of N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide?
The InChIKey is DXDFSCGFSAPMLW-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-12-15(9-8-13-5-2-1-3-6-13)18-19-16(21)14-7-4-10-17-11-14/h1-11,15,18,20H,12H2,(H,19,21)/b9-8+.
What are the key properties of N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide?
N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide has a molecular weight of 283.33 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 135076885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).