N-[(E)-3-(4-methoxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide

C22H19N3O3 — CID 5442096

IUPACN-[(E)-3-(4-methoxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
SMILESCOc1ccc(NC(=O)/C(=C\c2ccncc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19N3O3/c1-28-19-9-7-18(8-10-19)24-22(27)20(15-16-11-13-23-14-12-16)25-21(26)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,27)(H,25,26)/b20-15+
InChIKeyWDKIRIQDCRRJPH-HMMYKYKNSA-N
MW373.41 g/mol
LogP3.50
Rot. Bonds6

About N-[(E)-3-(4-methoxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide

N-[(E)-3-(4-methoxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide (PubChem CID 5442096) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(E)-3-(4-methoxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-(4-methoxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
PubChem CID5442096
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[(E)-3-(4-methoxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
SMILESCOc1ccc(NC(=O)/C(=C\c2ccncc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19N3O3/c1-28-19-9-7-18(8-10-19)24-22(27)20(15-16-11-13-23-14-12-16)25-21(26)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,27)(H,25,26)/b20-15+
InChIKeyWDKIRIQDCRRJPH-HMMYKYKNSA-N
XLogP3.50
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-methoxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-3-(4-methoxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide (CID 5442096) is N-[(E)-3-(4-methoxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-3-(4-methoxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-3-(4-methoxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide is COc1ccc(NC(=O)/C(=C\c2ccncc2)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-3-(4-methoxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide?
The InChIKey is WDKIRIQDCRRJPH-HMMYKYKNSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-28-19-9-7-18(8-10-19)24-22(27)20(15-16-11-13-23-14-12-16)25-21(26)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,27)(H,25,26)/b20-15+.
What are the key properties of N-[(E)-3-(4-methoxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide?
N-[(E)-3-(4-methoxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide has a molecular weight of 373.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-methoxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 5442096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).