(E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide

C22H24N4O3 — CID 44553989

IUPAC(E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESCN1CCN(C(=O)/C=C/c2cccc(/C=C/C(=O)NO)n2)CC1c1ccccc1
InChIInChI=1S/C22H24N4O3/c1-25-14-15-26(16-20(25)17-6-3-2-4-7-17)22(28)13-11-19-9-5-8-18(23-19)10-12-21(27)24-29/h2-13,20,29H,14-16H2,1H3,(H,24,27)/b12-10+,13-11+
InChIKeyGJONJSSEIBFHAH-DCIPZJNNSA-N
MW392.46 g/mol
LogP2.13
Rot. Bonds5

About (E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide (PubChem CID 44553989) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
PubChem CID44553989
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESCN1CCN(C(=O)/C=C/c2cccc(/C=C/C(=O)NO)n2)CC1c1ccccc1
InChIInChI=1S/C22H24N4O3/c1-25-14-15-26(16-20(25)17-6-3-2-4-7-17)22(28)13-11-19-9-5-8-18(23-19)10-12-21(27)24-29/h2-13,20,29H,14-16H2,1H3,(H,24,27)/b12-10+,13-11+
InChIKeyGJONJSSEIBFHAH-DCIPZJNNSA-N
XLogP2.13
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide (CID 44553989) is (E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide is CN1CCN(C(=O)/C=C/c2cccc(/C=C/C(=O)NO)n2)CC1c1ccccc1.
What is the InChIKey of (E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The InChIKey is GJONJSSEIBFHAH-DCIPZJNNSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-25-14-15-26(16-20(25)17-6-3-2-4-7-17)22(28)13-11-19-9-5-8-18(23-19)10-12-21(27)24-29/h2-13,20,29H,14-16H2,1H3,(H,24,27)/b12-10+,13-11+.
What are the key properties of (E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide has a molecular weight of 392.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 44553989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).