(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide

C21H22N4O3 — CID 25206525

IUPAC(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(/C=C/C(=O)c2cccc(N3CCNCC3)c2)n1)NO
InChIInChI=1S/C21H22N4O3/c26-20(16-3-1-6-19(15-16)25-13-11-22-12-14-25)9-7-17-4-2-5-18(23-17)8-10-21(27)24-28/h1-10,15,22,28H,11-14H2,(H,24,27)/b9-7+,10-8+
InChIKeyLUZGHQRZUQGJBL-FIFLTTCUSA-N
MW378.43 g/mol
LogP1.91
Rot. Bonds6

About (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide (PubChem CID 25206525) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide
PubChem CID25206525
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(/C=C/C(=O)c2cccc(N3CCNCC3)c2)n1)NO
InChIInChI=1S/C21H22N4O3/c26-20(16-3-1-6-19(15-16)25-13-11-22-12-14-25)9-7-17-4-2-5-18(23-17)8-10-21(27)24-28/h1-10,15,22,28H,11-14H2,(H,24,27)/b9-7+,10-8+
InChIKeyLUZGHQRZUQGJBL-FIFLTTCUSA-N
XLogP1.91
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.91
H-Bond Donors ≤ 53
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'}

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Launch Full Analysis

Related Compounds

(E)-N-hydroxy-3-[3-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]phenyl]prop-2-enamide
CID 25206524
(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)-3-[3-[(E)-3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 25206853
3-[6-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 75067343
(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
3-[6-[3-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 74428970
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
(E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]prop-1-enyl]phenyl]prop-2-enamide
CID 25207493
N-hydroxy-3-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 74428828

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide (CID 25206525) is (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide is O=C(/C=C/c1cccc(/C=C/C(=O)c2cccc(N3CCNCC3)c2)n1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide?
The InChIKey is LUZGHQRZUQGJBL-FIFLTTCUSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-20(16-3-1-6-19(15-16)25-13-11-22-12-14-25)9-7-17-4-2-5-18(23-17)8-10-21(27)24-28/h1-10,15,22,28H,11-14H2,(H,24,27)/b9-7+,10-8+.
What are the key properties of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide has a molecular weight of 378.43 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 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-(3-piperazin-1-ylphenyl)prop-1-enyl]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 25206525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).