(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide

C24H28N4O3 — CID 59606946

IUPAC(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESCC(C)N1CCN(c2ccccc2C(=O)/C=C/c2cccc(/C=C/C(=O)NO)n2)CC1
InChIInChI=1S/C24H28N4O3/c1-18(2)27-14-16-28(17-15-27)22-9-4-3-8-21(22)23(29)12-10-19-6-5-7-20(25-19)11-13-24(30)26-31/h3-13,18,31H,14-17H2,1-2H3,(H,26,30)/b12-10+,13-11+
InChIKeyOZFBEQATJNCOLZ-DCIPZJNNSA-N
MW420.51 g/mol
LogP3.03
Rot. Bonds7

About (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide (PubChem CID 59606946) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide
PubChem CID59606946
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESCC(C)N1CCN(c2ccccc2C(=O)/C=C/c2cccc(/C=C/C(=O)NO)n2)CC1
InChIInChI=1S/C24H28N4O3/c1-18(2)27-14-16-28(17-15-27)22-9-4-3-8-21(22)23(29)12-10-19-6-5-7-20(25-19)11-13-24(30)26-31/h3-13,18,31H,14-17H2,1-2H3,(H,26,30)/b12-10+,13-11+
InChIKeyOZFBEQATJNCOLZ-DCIPZJNNSA-N
XLogP3.03
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide with MolForge

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Related Compounds

3-[3-[3-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 74428920
(E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 25206364
(E)-N-hydroxy-3-[6-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 25206197
N-hydroxy-3-[6-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 74428632
N-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 173066122
(E)-3-[6-[(E)-3-[4-(4-benzylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 25205223
3-[6-[3-[4-(4-benzylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 74428358
(E)-N-hydroxy-3-[6-[(E)-3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 44553645
N-hydroxy-3-[6-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 75067538
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 25206525
3-[6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide;hydrochloride
CID 75067544
(E)-3-[6-[(E)-3-[4-[(3R,5S)-4-acetyl-3,5-dimethylpiperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 25206038

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide (CID 59606946) is (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide is CC(C)N1CCN(c2ccccc2C(=O)/C=C/c2cccc(/C=C/C(=O)NO)n2)CC1.
What is the InChIKey of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide?
The InChIKey is OZFBEQATJNCOLZ-DCIPZJNNSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-18(2)27-14-16-28(17-15-27)22-9-4-3-8-21(22)23(29)12-10-19-6-5-7-20(25-19)11-13-24(30)26-31/h3-13,18,31H,14-17H2,1-2H3,(H,26,30)/b12-10+,13-11+.
What are the key properties of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide has a molecular weight of 420.51 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 59606946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).