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

C19H19N3O4 — CID 9078045

IUPAC(E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide
SMILESC=CCOc1ccc(/C=C/C(=O)NNC(=O)Cn2ccccc2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-2-13-26-16-9-6-15(7-10-16)8-11-17(23)20-21-18(24)14-22-12-4-3-5-19(22)25/h2-12H,1,13-14H2,(H,20,23)(H,21,24)/b11-8+
InChIKeySQWPZIKGSDBMCC-DHZHZOJOSA-N
MW353.38 g/mol
LogP1.27
Rot. Bonds7

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

(E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide (PubChem CID 9078045) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is (E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide
PubChem CID9078045
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name(E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide
SMILESC=CCOc1ccc(/C=C/C(=O)NNC(=O)Cn2ccccc2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-2-13-26-16-9-6-15(7-10-16)8-11-17(23)20-21-18(24)14-22-12-4-3-5-19(22)25/h2-12H,1,13-14H2,(H,20,23)(H,21,24)/b11-8+
InChIKeySQWPZIKGSDBMCC-DHZHZOJOSA-N
XLogP1.27
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N'-[2-(5-phenyltetrazol-2-yl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide
CID 9468250
(E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078335
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078015
(E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078066
(E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078172
(E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 26913059
N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-2-prop-2-enoxybenzohydrazide
CID 6233291
N'-[3-(4-methoxyphenyl)prop-2-enoyl]-2-prop-2-enoxybenzohydrazide
CID 4929146
(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 7731956
3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide
CID 9418537
(4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486348
(E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9301543

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide (CID 9078045) is (E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide is C=CCOc1ccc(/C=C/C(=O)NNC(=O)Cn2ccccc2=O)cc1.
What is the InChIKey of (E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide?
The InChIKey is SQWPZIKGSDBMCC-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-2-13-26-16-9-6-15(7-10-16)8-11-17(23)20-21-18(24)14-22-12-4-3-5-19(22)25/h2-12H,1,13-14H2,(H,20,23)(H,21,24)/b11-8+.
What are the key properties of (E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide?
(E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide has a molecular weight of 353.38 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide is sourced from PubChem (CID 9078045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).