(E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide

C17H16FN3O4 — CID 9078335

IUPAC(E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
SMILESCOc1ccc(/C=C/C(=O)NNC(=O)Cn2ccccc2=O)cc1F
InChIInChI=1S/C17H16FN3O4/c1-25-14-7-5-12(10-13(14)18)6-8-15(22)19-20-16(23)11-21-9-3-2-4-17(21)24/h2-10H,11H2,1H3,(H,19,22)(H,20,23)/b8-6+
InChIKeyXZCDMGAIFAIJMA-SOFGYWHQSA-N
MW345.33 g/mol
LogP0.86
Rot. Bonds5

About (E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide

(E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide (PubChem CID 9078335) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is (E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
PubChem CID9078335
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Name(E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
SMILESCOc1ccc(/C=C/C(=O)NNC(=O)Cn2ccccc2=O)cc1F
InChIInChI=1S/C17H16FN3O4/c1-25-14-7-5-12(10-13(14)18)6-8-15(22)19-20-16(23)11-21-9-3-2-4-17(21)24/h2-10H,11H2,1H3,(H,19,22)(H,20,23)/b8-6+
InChIKeyXZCDMGAIFAIJMA-SOFGYWHQSA-N
XLogP0.86
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078015
(E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078172
1-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]-3-(3-methylbutyl)thiourea
CID 9150304
5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 9278532
(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide
CID 60666436
(E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078066
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]prop-2-enamide
CID 93041518
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723472
(E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 37496007
N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 9297287
(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 92855049
3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109873

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide (CID 9078335) is (E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide is COc1ccc(/C=C/C(=O)NNC(=O)Cn2ccccc2=O)cc1F.
What is the InChIKey of (E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide?
The InChIKey is XZCDMGAIFAIJMA-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-25-14-7-5-12(10-13(14)18)6-8-15(22)19-20-16(23)11-21-9-3-2-4-17(21)24/h2-10H,11H2,1H3,(H,19,22)(H,20,23)/b8-6+.
What are the key properties of (E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide?
(E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide has a molecular weight of 345.33 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 9078335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).