(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide

C23H28N4O2 — CID 134227241

IUPAC(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccnnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c28-22(10-9-20-11-15-25-26-18-20)24-14-5-4-6-19-12-16-27(17-13-19)23(29)21-7-2-1-3-8-21/h1-3,7-11,15,18-19H,4-6,12-14,16-17H2,(H,24,28)/b10-9+
InChIKeyPYOIJZYNZPLDNY-MDZDMXLPSA-N
MW392.50 g/mol
LogP3.33
Rot. Bonds8

About (E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide

(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide (PubChem CID 134227241) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide
PubChem CID134227241
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccnnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c28-22(10-9-20-11-15-25-26-18-20)24-14-5-4-6-19-12-16-27(17-13-19)23(29)21-7-2-1-3-8-21/h1-3,7-11,15,18-19H,4-6,12-14,16-17H2,(H,24,28)/b10-9+
InChIKeyPYOIJZYNZPLDNY-MDZDMXLPSA-N
XLogP3.33
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Daporinad
CID 6914657
N-[(2S)-1-(cyanomethylamino)-1-oxo-3-(3-pyridazin-4-ylphenyl)propan-2-yl]benzamide
CID 45268510
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide
CID 53396328
N-[(2S)-1-(cyanomethylamino)-1-oxo-3-(3-pyridazin-3-ylphenyl)propan-2-yl]benzamide
CID 45272752
4-fluoro-N-(2-oxo-2-(phenyl(pyridazin-3-yl)methylamino)ethyl)benzamide
CID 44578960
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide
CID 72705414
4-[Cyclopropyl-(4-pyridazin-4-yl-benzoyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 73387918
6-Methyl-pyridazine-4-carboxylic acid[3-(4-tert-butylcarbamoyl-piperidin-1-ylmethyl)-phenyl]-amide
CID 118521899
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-4-carboxamide
CID 129626086
N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide
CID 155555793
5-cyclopropyl-N-{1-[(1S)-1-phenylethyl]azetidin-3-yl}pyridazine-3-carboxamide
CID 132219928
N-(1-benzylazetidin-3-yl)-5-cyclopropylpyridazine-3-carboxamide
CID 132219934

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide (CID 134227241) is (E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide is O=C(/C=C/c1ccnnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide?
The InChIKey is PYOIJZYNZPLDNY-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-22(10-9-20-11-15-25-26-18-20)24-14-5-4-6-19-12-16-27(17-13-19)23(29)21-7-2-1-3-8-21/h1-3,7-11,15,18-19H,4-6,12-14,16-17H2,(H,24,28)/b10-9+.
What are the key properties of (E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide?
(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide has a molecular weight of 392.50 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide is sourced from PubChem (CID 134227241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).