N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide

C25H26F3N5O2 — CID 135968280

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)c(O)c1
InChIInChI=1S/C25H26F3N5O2/c1-3-33(4-2)21-10-7-18(22(34)15-21)16-30-32-24(35)13-17-5-8-19(9-6-17)31-20-11-12-29-23(14-20)25(26,27)28/h5-12,14-16,34H,3-4,13H2,1-2H3,(H,29,31)(H,32,35)/b30-16+
InChIKeyPBEZEHVFTUEBTH-OKCVXOCRSA-N
MW485.51 g/mol
LogP5.09
Rot. Bonds9

About N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide (PubChem CID 135968280) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
PubChem CID135968280
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)c(O)c1
InChIInChI=1S/C25H26F3N5O2/c1-3-33(4-2)21-10-7-18(22(34)15-21)16-30-32-24(35)13-17-5-8-19(9-6-17)31-20-11-12-29-23(14-20)25(26,27)28/h5-12,14-16,34H,3-4,13H2,1-2H3,(H,29,31)(H,32,35)/b30-16+
InChIKeyPBEZEHVFTUEBTH-OKCVXOCRSA-N
XLogP5.09
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide 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'-(4-(diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide
CID 135400298
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968233
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
CID 135968237
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968269
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968272
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968274
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968275
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 136239512
SCFSkp2-IN-2
CID 135457298
N'-[(Z)-[4-(Diethylamino)-2-hydroxyphenyl]methylidene]-2-(1-methyl-1H-pyrrol-2-YL)acetohydrazide
CID 135713452
5-(diethylammonio)-2-{(E)-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]methyl}phenolate
CID 9613337
3-[4-[(2,6-dimethylquinolin-4-yl)amino]-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 136036822

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide (CID 135968280) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide is CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide?
The InChIKey is PBEZEHVFTUEBTH-OKCVXOCRSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-3-33(4-2)21-10-7-18(22(34)15-21)16-30-32-24(35)13-17-5-8-19(9-6-17)31-20-11-12-29-23(14-20)25(26,27)28/h5-12,14-16,34H,3-4,13H2,1-2H3,(H,29,31)(H,32,35)/b30-16+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide has a molecular weight of 485.51 g/mol, XLogP of 5.09, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide is sourced from PubChem (CID 135968280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).