N-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide

C25H24F3N5O3 — CID 68511102

IUPACN-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide
SMILESNc1ccccc1NC(=O)C=Cc1ccc(C(NCCO)C(=O)Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C25H24F3N5O3/c26-25(27,28)18-10-11-21(31-15-18)33-24(36)23(30-13-14-34)17-8-5-16(6-9-17)7-12-22(35)32-20-4-2-1-3-19(20)29/h1-12,15,23,30,34H,13-14,29H2,(H,32,35)(H,31,33,36)
InChIKeyOBNXSDNWOXZSJE-UHFFFAOYSA-N
MW499.49 g/mol
LogP3.60
Rot. Bonds9

About N-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide

N-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide (PubChem CID 68511102) has the molecular formula C25H24F3N5O3 and a molecular weight of 499.49 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide
PubChem CID68511102
Molecular FormulaC25H24F3N5O3
Molecular Weight499.49 g/mol
Exact Mass499.18
IUPAC NameN-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide
SMILESNc1ccccc1NC(=O)C=Cc1ccc(C(NCCO)C(=O)Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C25H24F3N5O3/c26-25(27,28)18-10-11-21(31-15-18)33-24(36)23(30-13-14-34)17-8-5-16(6-9-17)7-12-22(35)32-20-4-2-1-3-19(20)29/h1-12,15,23,30,34H,13-14,29H2,(H,32,35)(H,31,33,36)
InChIKeyOBNXSDNWOXZSJE-UHFFFAOYSA-N
XLogP3.60
TPSA129.37 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 53.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide 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

(E)-N-(2-aminophenyl)-3-[4-[1-(3-morpholin-4-ylpropylamino)-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]phenyl]prop-2-enamide
CID 53324670
(E)-N-(2-aminophenyl)-3-[4-[2-[4-(1,1-difluoroethyl)-2-fluoroanilino]-2-oxo-1-(2-thiomorpholin-4-ylethylamino)ethyl]phenyl]prop-2-enamide
CID 70256831
(E)-N-(2-aminophenyl)-3-[4-[1-[2-(3-methylmorpholin-4-yl)ethylamino]-2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]phenyl]prop-2-enamide
CID 89030823
3-[4-[1-(2-acetamidoethylamino)-2-(4-chloroanilino)-2-oxoethyl]phenyl]-N-(2-aminophenyl)prop-2-enamide
CID 68509813
(E)-N-(2-aminophenyl)-3-[4-[2-[4-(1,1-difluoroprop-2-enyl)-2-fluoroanilino]-2-oxo-1-(2-thiomorpholin-4-ylethylamino)ethyl]phenyl]prop-2-enamide
CID 162586417
N-(2-aminophenyl)-3-[4-[1-(azetidin-1-yl)-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]phenyl]prop-2-enamide
CID 68508278
N-(2-aminophenyl)-3-[4-[2-(4-bromoanilino)-1-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 68513621
2-[4-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]-6-[4-(trifluoromethyl)phenyl]benzamide
CID 151753400
(E)-N-(2-aminophenyl)-3-[4-[2-[4-(1,1-difluoroethyl)-3-fluoroanilino]-2-oxo-1-(2-piperidin-1-ylethylamino)ethyl]phenyl]prop-2-enamide
CID 70256832
N-(2-aminophenyl)-3-[4-[1-[2-(oxan-4-yl)ethylamino]-2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]phenyl]prop-2-enamide
CID 68509558
(E)-N-(2-aminophenyl)-3-[4-[2-[3-fluoro-4-(trifluoromethyl)anilino]-1-[2-(3-methylmorpholin-4-yl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 89030875
(E)-N-(2-aminophenyl)-3-[4-[2-[3-chloro-4-(trifluoromethyl)anilino]-1-[2-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 89030882

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide?
The IUPAC name of N-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide (CID 68511102) is N-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide is Nc1ccccc1NC(=O)C=Cc1ccc(C(NCCO)C(=O)Nc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide?
The InChIKey is OBNXSDNWOXZSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O3/c26-25(27,28)18-10-11-21(31-15-18)33-24(36)23(30-13-14-34)17-8-5-16(6-9-17)7-12-22(35)32-20-4-2-1-3-19(20)29/h1-12,15,23,30,34H,13-14,29H2,(H,32,35)(H,31,33,36).
What are the key properties of N-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide?
N-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide has a molecular weight of 499.49 g/mol, XLogP of 3.60, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 68511102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).