(E)-N-hydroxy-3-[5-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide

C22H24N4O3 — CID 24756885

IUPAC(E)-N-hydroxy-3-[5-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESCN1CCN(c2ccccc2C(=O)/C=C/c2ccc(/C=C/C(=O)NO)nc2)CC1
InChIInChI=1S/C22H24N4O3/c1-25-12-14-26(15-13-25)20-5-3-2-4-19(20)21(27)10-7-17-6-8-18(23-16-17)9-11-22(28)24-29/h2-11,16,29H,12-15H2,1H3,(H,24,28)/b10-7+,11-9+
InChIKeyXWUJHLVHSKASOS-PPZOTWNKSA-N
MW392.46 g/mol
LogP2.25
Rot. Bonds6

About (E)-N-hydroxy-3-[5-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[5-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide (PubChem CID 24756885) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[5-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[5-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
PubChem CID24756885
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(E)-N-hydroxy-3-[5-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESCN1CCN(c2ccccc2C(=O)/C=C/c2ccc(/C=C/C(=O)NO)nc2)CC1
InChIInChI=1S/C22H24N4O3/c1-25-12-14-26(15-13-25)20-5-3-2-4-19(20)21(27)10-7-17-6-8-18(23-16-17)9-11-22(28)24-29/h2-11,16,29H,12-15H2,1H3,(H,24,28)/b10-7+,11-9+
InChIKeyXWUJHLVHSKASOS-PPZOTWNKSA-N
XLogP2.25
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.25
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'}

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Related Compounds

MC1568
CID 11381449
(2E)-N-hydroxy-3-(1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl)prop-2-enamide
CID 10379137
3-[4-[3-(3-fluorophenyl)-3-oxoprop-1-enyl]-1-methyl-2-pyrrolyl]-N-hydroxy-2-propenamide
CID 71433510
2-fluoro-9-oxo-N-[2-(pyridin-2-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748525
N-hydroxy-8-oxo-8-(pyridin-3-yl)octanamide
CID 11128726
N-(2-aminophenyl)-4-{5-[(4-ethylpiperazin-1-yl)methyl]-3-methylpyridin-2-yl}benzamide
CID 11633344
Aminopyridine N-oxide, 53
CID 24746297
Aminopyridine N-oxide, 34
CID 44249910
Aminopyridine N-oxide, 36
CID 44249911
3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)-N-[(1r)-1-(Pyridin-2-Yl)ethyl]propanamide
CID 135566762
Piperazine, 1-(4-acetylphenyl)-4-(3-pyridinylcarbonyl)-
CID 667603
1-Piperidinyl(2-(4-pyridinylamino)phenyl)methanone
CID 55754

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[5-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[5-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide (CID 24756885) is (E)-N-hydroxy-3-[5-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[5-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[5-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide is CN1CCN(c2ccccc2C(=O)/C=C/c2ccc(/C=C/C(=O)NO)nc2)CC1.
What is the InChIKey of (E)-N-hydroxy-3-[5-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The InChIKey is XWUJHLVHSKASOS-PPZOTWNKSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-25-12-14-26(15-13-25)20-5-3-2-4-19(20)21(27)10-7-17-6-8-18(23-16-17)9-11-22(28)24-29/h2-11,16,29H,12-15H2,1H3,(H,24,28)/b10-7+,11-9+.
What are the key properties of (E)-N-hydroxy-3-[5-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[5-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide has a molecular weight of 392.46 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[5-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 24756885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).