(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride

C24H24ClN3O3 — CID 44553982

IUPAC(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
SMILESCl.O=C(/C=C/c1cccc(/C=C/C(=O)N2CCC3(C=Cc4ccccc43)CC2)n1)NO
InChIInChI=1S/C24H23N3O3.ClH/c28-22(26-30)10-8-19-5-3-6-20(25-19)9-11-23(29)27-16-14-24(15-17-27)13-12-18-4-1-2-7-21(18)24;/h1-13,30H,14-17H2,(H,26,28);1H/b10-8+,11-9+;
InChIKeyNPSZTMSHAPSWDD-HUISGVMCSA-N
MW437.93 g/mol
LogP3.62
Rot. Bonds4

About (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride

(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride (PubChem CID 44553982) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
PubChem CID44553982
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
SMILESCl.O=C(/C=C/c1cccc(/C=C/C(=O)N2CCC3(C=Cc4ccccc43)CC2)n1)NO
InChIInChI=1S/C24H23N3O3.ClH/c28-22(26-30)10-8-19-5-3-6-20(25-19)9-11-23(29)27-16-14-24(15-17-27)13-12-18-4-1-2-7-21(18)24;/h1-13,30H,14-17H2,(H,26,28);1H/b10-8+,11-9+;
InChIKeyNPSZTMSHAPSWDD-HUISGVMCSA-N
XLogP3.62
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 25207013
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-enyl]pyridin-2-yl]prop-2-enamide;hydrochloride
CID 44553305
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-enyl]pyridin-2-yl]prop-2-enamide
CID 44553306
(E)-3-[6-[(E)-3-[3-(4-fluorophenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 44553640
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]pyridin-2-yl]prop-2-enamide;hydrochloride
CID 44554325
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]pyridin-2-yl]prop-2-enamide
CID 44554326
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]pyridin-2-yl]prop-2-enamide;hydrochloride
CID 44554327
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]pyridin-2-yl]prop-2-enamide
CID 44554328
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]pyridin-2-yl]prop-2-enamide;hydrochloride
CID 44554329
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]pyridin-2-yl]prop-2-enamide
CID 44554330
(E)-3-[6-(4-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one
CID 59149600
(E)-3-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one
CID 59149615

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride?
The IUPAC name of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride (CID 44553982) is (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride.
What is the SMILES notation for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride?
The canonical SMILES for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride is Cl.O=C(/C=C/c1cccc(/C=C/C(=O)N2CCC3(C=Cc4ccccc43)CC2)n1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride?
The InChIKey is NPSZTMSHAPSWDD-HUISGVMCSA-N. The full InChI is InChI=1S/C24H23N3O3.ClH/c28-22(26-30)10-8-19-5-3-6-20(25-19)9-11-23(29)27-16-14-24(15-17-27)13-12-18-4-1-2-7-21(18)24;/h1-13,30H,14-17H2,(H,26,28);1H/b10-8+,11-9+;.
What are the key properties of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride?
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride has a molecular weight of 437.93 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 44553982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).