(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

C25H28N4O4 — CID 25206038

IUPAC(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
SMILESCC(=O)N1[C@H](C)CN(c2ccc(C(=O)/C=C/c3cccc(/C=C/C(=O)NO)n3)cc2)C[C@@H]1C
InChIInChI=1S/C25H28N4O4/c1-17-15-28(16-18(2)29(17)19(3)30)23-11-7-20(8-12-23)24(31)13-9-21-5-4-6-22(26-21)10-14-25(32)27-33/h4-14,17-18,33H,15-16H2,1-3H3,(H,27,32)/b13-9+,14-10+/t17-,18+
InChIKeyFCTITJPUEAZVKU-MYPBNMSVSA-N
MW448.52 g/mol
LogP2.94
Rot. Bonds6

About (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

(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 (PubChem CID 25206038) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID25206038
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name(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
SMILESCC(=O)N1[C@H](C)CN(c2ccc(C(=O)/C=C/c3cccc(/C=C/C(=O)NO)n3)cc2)C[C@@H]1C
InChIInChI=1S/C25H28N4O4/c1-17-15-28(16-18(2)29(17)19(3)30)23-11-7-20(8-12-23)24(31)13-9-21-5-4-6-22(26-21)10-14-25(32)27-33/h4-14,17-18,33H,15-16H2,1-3H3,(H,27,32)/b13-9+,14-10+/t17-,18+
InChIKeyFCTITJPUEAZVKU-MYPBNMSVSA-N
XLogP2.94
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.94
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)-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-3-[3-[3-oxo-3-[4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]prop-1-enyl]phenyl]prop-2-enamide
CID 91596499
(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
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[4-[[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methyl]phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 25205735
3-[6-[3-[4-(4-benzylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 74428358
(E)-3-[6-[(E)-3-[4-(4-benzylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 25205223
(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-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enoic acid
CID 67366361
N-hydroxy-3-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 74428828
3-[6-[3-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 74428970
(E)-3-[3-[(E)-3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 25206853
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(=O)N1[C@H](C)CN(c2ccc(C(=O)/C=C/c3cccc(/C=C/C(=O)NO)n3)cc2)C[C@@H]1C.
What is the InChIKey of (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?
The InChIKey is FCTITJPUEAZVKU-MYPBNMSVSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-17-15-28(16-18(2)29(17)19(3)30)23-11-7-20(8-12-23)24(31)13-9-21-5-4-6-22(26-21)10-14-25(32)27-33/h4-14,17-18,33H,15-16H2,1-3H3,(H,27,32)/b13-9+,14-10+/t17-,18+.
What are the key properties of (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?
(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 has a molecular weight of 448.52 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 25206038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).