N-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide

C24H25F3N4O3 — CID 130205488

IUPACN-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide
SMILESC=C(/C(C)=N/C=C(\C)NC(=O)c1cccc(C(F)(F)F)c1)c1c[nH]c(=O)c(N2CCOCC2)c1
InChIInChI=1S/C24H25F3N4O3/c1-15(30-22(32)18-5-4-6-20(11-18)24(25,26)27)13-28-17(3)16(2)19-12-21(23(33)29-14-19)31-7-9-34-10-8-31/h4-6,11-14H,2,7-10H2,1,3H3,(H,29,33)(H,30,32)/b15-13+,28-17+
InChIKeyKNEURUDWGMLGLO-QLBNXQEESA-N
MW474.48 g/mol
LogP4.00
Rot. Bonds6

About N-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide

N-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 130205488) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID130205488
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC NameN-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide
SMILESC=C(/C(C)=N/C=C(\C)NC(=O)c1cccc(C(F)(F)F)c1)c1c[nH]c(=O)c(N2CCOCC2)c1
InChIInChI=1S/C24H25F3N4O3/c1-15(30-22(32)18-5-4-6-20(11-18)24(25,26)27)13-28-17(3)16(2)19-12-21(23(33)29-14-19)31-7-9-34-10-8-31/h4-6,11-14H,2,7-10H2,1,3H3,(H,29,33)(H,30,32)/b15-13+,28-17+
InChIKeyKNEURUDWGMLGLO-QLBNXQEESA-N
XLogP4.00
TPSA86.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide (CID 130205488) is N-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide is C=C(/C(C)=N/C=C(\C)NC(=O)c1cccc(C(F)(F)F)c1)c1c[nH]c(=O)c(N2CCOCC2)c1.
What is the InChIKey of N-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is KNEURUDWGMLGLO-QLBNXQEESA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-15(30-22(32)18-5-4-6-20(11-18)24(25,26)27)13-28-17(3)16(2)19-12-21(23(33)29-14-19)31-7-9-34-10-8-31/h4-6,11-14H,2,7-10H2,1,3H3,(H,29,33)(H,30,32)/b15-13+,28-17+.
What are the key properties of N-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide?
N-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 474.48 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)but-3-en-2-ylideneamino]prop-1-en-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 130205488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).