(E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide

C22H23N3O4 — CID 25206364

IUPAC(E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(/C=C/C(=O)c2ccccc2CN2CCOCC2)n1)NO
InChIInChI=1S/C22H23N3O4/c26-21(10-8-18-5-3-6-19(23-18)9-11-22(27)24-28)20-7-2-1-4-17(20)16-25-12-14-29-15-13-25/h1-11,28H,12-16H2,(H,24,27)/b10-8+,11-9+
InChIKeyIWGGTVJILHMCKN-GFULKKFKSA-N
MW393.44 g/mol
LogP2.33
Rot. Bonds7

About (E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide (PubChem CID 25206364) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
PubChem CID25206364
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name(E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(/C=C/C(=O)c2ccccc2CN2CCOCC2)n1)NO
InChIInChI=1S/C22H23N3O4/c26-21(10-8-18-5-3-6-19(23-18)9-11-22(27)24-28)20-7-2-1-4-17(20)16-25-12-14-29-15-13-25/h1-11,28H,12-16H2,(H,24,27)/b10-8+,11-9+
InChIKeyIWGGTVJILHMCKN-GFULKKFKSA-N
XLogP2.33
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.33
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

(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-[4-[3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 75077226
(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
CID 131887032
CID 131887032
(E)-3-[6-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 44552937
(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
3-[6-[3-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 74428970
(E)-1-[3-hydroxy-2,4-bis(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one
CID 44578811
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
N-methyl-2-(morpholin-4-ylmethyl)benzamide
CID 83387497

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide (CID 25206364) is (E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide is O=C(/C=C/c1cccc(/C=C/C(=O)c2ccccc2CN2CCOCC2)n1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The InChIKey is IWGGTVJILHMCKN-GFULKKFKSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-21(10-8-18-5-3-6-19(23-18)9-11-22(27)24-28)20-7-2-1-4-17(20)16-25-12-14-29-15-13-25/h1-11,28H,12-16H2,(H,24,27)/b10-8+,11-9+.
What are the key properties of (E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide has a molecular weight of 393.44 g/mol, XLogP of 2.33, 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-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 25206364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).