[4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate

C16H15N3O3 — CID 3615673

IUPAC[4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate
SMILESC=C(NNC(=O)c1ccccn1)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C16H15N3O3/c1-11(13-6-8-14(9-7-13)22-12(2)20)18-19-16(21)15-5-3-4-10-17-15/h3-10,18H,1H2,2H3,(H,19,21)
InChIKeyKXLUCJDMZLCVSQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.91
Rot. Bonds5

About [4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate

[4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate (PubChem CID 3615673) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is [4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate
PubChem CID3615673
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name[4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate
SMILESC=C(NNC(=O)c1ccccn1)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C16H15N3O3/c1-11(13-6-8-14(9-7-13)22-12(2)20)18-19-16(21)15-5-3-4-10-17-15/h3-10,18H,1H2,2H3,(H,19,21)
InChIKeyKXLUCJDMZLCVSQ-UHFFFAOYSA-N
XLogP1.91
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide
CID 3448394
[3-[[4-(pyridine-2-carbonylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927700
methyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate
CID 58366262
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide
CID 24537801
N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide
CID 9331191
N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide
CID 3977689
[2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate
CID 102173247
N-(2-methylprop-2-enoyl)pyridine-2-carboxamide
CID 22568298
N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide
CID 9333080
N'-(2,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
CID 8573468
N'-(2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 27661912
N'-[1-(4-hydroxyphenyl)ethenyl]pyrazine-2-carbohydrazide
CID 3484316

Frequently Asked Questions

What is the IUPAC name of [4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate?
The IUPAC name of [4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate (CID 3615673) is [4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate.
What is the SMILES notation for [4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate?
The canonical SMILES for [4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate is C=C(NNC(=O)c1ccccn1)c1ccc(OC(C)=O)cc1.
What is the InChIKey of [4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate?
The InChIKey is KXLUCJDMZLCVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-11(13-6-8-14(9-7-13)22-12(2)20)18-19-16(21)15-5-3-4-10-17-15/h3-10,18H,1H2,2H3,(H,19,21).
What are the key properties of [4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate?
[4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate has a molecular weight of 297.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[2-(pyridine-2-carbonyl)hydrazinyl]ethenyl]phenyl] acetate is sourced from PubChem (CID 3615673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).