N-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide

C26H23F3N4O3 — CID 155125670

IUPACN-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(C=Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C26H23F3N4O3/c27-26(28,29)20-3-1-2-19(16-20)25(35)31-21-7-4-18(5-8-21)6-11-24(34)32-23-10-9-22(17-30-23)33-12-14-36-15-13-33/h1-11,16-17H,12-15H2,(H,31,35)(H,30,32,34)
InChIKeyRJIZRPVGCUJTAG-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.84
Rot. Bonds6

About N-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 155125670) has the molecular formula C26H23F3N4O3 and a molecular weight of 496.49 g/mol. Its IUPAC name is N-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID155125670
Molecular FormulaC26H23F3N4O3
Molecular Weight496.49 g/mol
Exact Mass496.17
IUPAC NameN-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(C=Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C26H23F3N4O3/c27-26(28,29)20-3-1-2-19(16-20)25(35)31-21-7-4-18(5-8-21)6-11-24(34)32-23-10-9-22(17-30-23)33-12-14-36-15-13-33/h1-11,16-17H,12-15H2,(H,31,35)(H,30,32,34)
InChIKeyRJIZRPVGCUJTAG-UHFFFAOYSA-N
XLogP4.84
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-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

Related Compounds

N-[3-[(E)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide
CID 155125696
5-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 155125561
3-[3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-3-oxoprop-1-enyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 155125711
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
N-[3-[(E)-3-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide
CID 155125615
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
3-[3-[[5-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]-2-pyridinyl]amino]-3-oxoprop-1-enyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 155125750
(E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7922480
N-(5-morpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38143196
N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634320
N-(5-morpholin-4-yl-2-pyridinyl)-3-(tetrazol-1-yl)benzamide
CID 134053219
(E)-1-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 6310320

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide (CID 155125670) is N-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide is O=C(C=Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1)Nc1ccc(N2CCOCC2)cn1.
What is the InChIKey of N-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is RJIZRPVGCUJTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O3/c27-26(28,29)20-3-1-2-19(16-20)25(35)31-21-7-4-18(5-8-21)6-11-24(34)32-23-10-9-22(17-30-23)33-12-14-36-15-13-33/h1-11,16-17H,12-15H2,(H,31,35)(H,30,32,34).
What are the key properties of N-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 496.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 155125670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).