4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one

C17H15F3N4O2 — CID 144601862

IUPAC4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESC=N/C=C(/CNc1ccn(-c2ccc(OC(F)(F)F)cc2)c(=O)c1)N=C
InChIInChI=1S/C17H15F3N4O2/c1-21-10-13(22-2)11-23-12-7-8-24(16(25)9-12)14-3-5-15(6-4-14)26-17(18,19)20/h3-10,23H,1-2,11H2/b13-10-
InChIKeyDHNMOVWRFLDZIJ-RAXLEYEMSA-N
MW364.33 g/mol
LogP3.39
Rot. Bonds7

About 4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one

4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one (PubChem CID 144601862) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one
PubChem CID144601862
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESC=N/C=C(/CNc1ccn(-c2ccc(OC(F)(F)F)cc2)c(=O)c1)N=C
InChIInChI=1S/C17H15F3N4O2/c1-21-10-13(22-2)11-23-12-7-8-24(16(25)9-12)14-3-5-15(6-4-14)26-17(18,19)20/h3-10,23H,1-2,11H2/b13-10-
InChIKeyDHNMOVWRFLDZIJ-RAXLEYEMSA-N
XLogP3.39
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]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

Related Compounds

N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045
2-sulfanylidene-1-[4-(trifluoromethoxy)phenyl]pyrimidin-4-one
CID 62404667
ethane;(E)-3-(methylideneamino)-2-[(Z)-[5-[4-(trifluoromethoxy)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyliminomethyl]prop-2-enal
CID 145096191
1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one
CID 46911310
1-[4-(2-hydroxy-2-methylpropoxy)-3-methylsulfonylphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one
CID 46911309
N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079
3-ethenyl-2-[4-(trifluoromethoxy)anilino]-6-(trifluoromethyl)pyrimidin-4-one
CID 139907545
N-(methylideneamino)-4-(trifluoromethoxy)aniline
CID 155060711
N-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide
CID 162609210
1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[3-(trifluoromethoxy)phenyl]pyridin-2-one
CID 58580203
4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one
CID 171061640
1-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-one
CID 90883042

Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The IUPAC name of 4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one (CID 144601862) is 4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one is C=N/C=C(/CNc1ccn(-c2ccc(OC(F)(F)F)cc2)c(=O)c1)N=C.
What is the InChIKey of 4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The InChIKey is DHNMOVWRFLDZIJ-RAXLEYEMSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-21-10-13(22-2)11-23-12-7-8-24(16(25)9-12)14-3-5-15(6-4-14)26-17(18,19)20/h3-10,23H,1-2,11H2/b13-10-.
What are the key properties of 4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one has a molecular weight of 364.33 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-2,3-bis(methylideneamino)prop-2-enyl]amino]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 144601862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).