1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one

C20H12F3N3O2 — CID 135972051

IUPAC1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one
SMILES[C-]#[N+]c1c(C(F)(F)F)cc(-c2ccccc2)n(/N=C/c2ccccc2O)c1=O
InChIInChI=1S/C20H12F3N3O2/c1-24-18-15(20(21,22)23)11-16(13-7-3-2-4-8-13)26(19(18)28)25-12-14-9-5-6-10-17(14)27/h2-12,27H/b25-12+
InChIKeyWIUXQUCAZXXJRP-BRJLIKDPSA-N
MW383.33 g/mol
LogP4.67
Rot. Bonds3

About 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one

1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 135972051) has the molecular formula C20H12F3N3O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID135972051
Molecular FormulaC20H12F3N3O2
Molecular Weight383.33 g/mol
Exact Mass383.09
IUPAC Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one
SMILES[C-]#[N+]c1c(C(F)(F)F)cc(-c2ccccc2)n(/N=C/c2ccccc2O)c1=O
InChIInChI=1S/C20H12F3N3O2/c1-24-18-15(20(21,22)23)11-16(13-7-3-2-4-8-13)26(19(18)28)25-12-14-9-5-6-10-17(14)27/h2-12,27H/b25-12+
InChIKeyWIUXQUCAZXXJRP-BRJLIKDPSA-N
XLogP4.67
TPSA58.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one 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 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one (CID 135972051) is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one is [C-]#[N+]c1c(C(F)(F)F)cc(-c2ccccc2)n(/N=C/c2ccccc2O)c1=O.
What is the InChIKey of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is WIUXQUCAZXXJRP-BRJLIKDPSA-N. The full InChI is InChI=1S/C20H12F3N3O2/c1-24-18-15(20(21,22)23)11-16(13-7-3-2-4-8-13)26(19(18)28)25-12-14-9-5-6-10-17(14)27/h2-12,27H/b25-12+.
What are the key properties of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one?
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 383.33 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 135972051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).