N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C15H14F3N3O — CID 7933237

IUPACN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(/C(C)=N\Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C15H14F3N3O/c1-10(11-3-6-13(22-2)7-4-11)20-21-14-8-5-12(9-19-14)15(16,17)18/h3-9H,1-2H3,(H,19,21)/b20-10-
InChIKeyCQFDOPIXZVVGLM-JMIUGGIZSA-N
MW309.29 g/mol
LogP3.95
Rot. Bonds4

About N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 7933237) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID7933237
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(/C(C)=N\Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C15H14F3N3O/c1-10(11-3-6-13(22-2)7-4-11)20-21-14-8-5-12(9-19-14)15(16,17)18/h3-9H,1-2H3,(H,19,21)/b20-10-
InChIKeyCQFDOPIXZVVGLM-JMIUGGIZSA-N
XLogP3.95
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 71896580
N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 18269652
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 9217023
N,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide
CID 41210948
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
6-(4-methoxyphenyl)-2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 16747550
[4-[(E)-C-methyl-N-[[2-oxo-2-[4-(trifluoromethyl)anilino]acetyl]amino]carbonimidoyl]phenyl] 4-methoxybenzoate
CID 19658629
N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
CID 9121690
N-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 46799583
5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 18229276
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 7933237) is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine is COc1ccc(/C(C)=N\Nc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CQFDOPIXZVVGLM-JMIUGGIZSA-N. The full InChI is InChI=1S/C15H14F3N3O/c1-10(11-3-6-13(22-2)7-4-11)20-21-14-8-5-12(9-19-14)15(16,17)18/h3-9H,1-2H3,(H,19,21)/b20-10-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 309.29 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 7933237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).