N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H14F3N3O3 — CID 6899829

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C16H14F3N3O3/c1-25-13-5-2-11(3-6-13)8-20-21-14(23)10-22-9-12(16(17,18)19)4-7-15(22)24/h2-9H,10H2,1H3,(H,21,23)/b20-8+
InChIKeyKQMNZWQENYLPSX-DNTJNYDQSA-N
MW353.30 g/mol
LogP2.03
Rot. Bonds5

About N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 6899829) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID6899829
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C16H14F3N3O3/c1-25-13-5-2-11(3-6-13)8-20-21-14(23)10-22-9-12(16(17,18)19)4-7-15(22)24/h2-9H,10H2,1H3,(H,21,23)/b20-8+
InChIKeyKQMNZWQENYLPSX-DNTJNYDQSA-N
XLogP2.03
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Azepan-1-yl-oxo-acetic acid (4-methoxy-benzylidene)-hydrazide
CID 9593486
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 135519973
N-[(E)-(2-methoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 6868939
(2E)-3-(2-Methoxyphenyl)-N-({N'-[(E)-phenylmethylidene]hydrazinecarbonyl}methyl)prop-2-enamide
CID 9552932
(2E)-3-(2-Methoxyphenyl)-N-({N'-[(E)-(4-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)prop-2-enamide
CID 9642078
(2E)-3-(4-Methoxyphenyl)-N-({N'-[(E)-(4-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)prop-2-enamide
CID 9680671
(E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide
CID 6060955
3-(4-Methoxy-phenyl)-N-(1-phenyl-propylidene-hydrazinocarbonylmethyl)-acrylamide
CID 5937436
N'-[(E)-(4-methoxyphenyl)methylidene]-2-(pyrrolidin-1-yl)acetohydrazide
CID 9615644
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 135576510
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 9591527
Cinnamic (4-methoxybenzylidene)hydrazide
CID 9672143

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 6899829) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is COc1ccc(/C=N/NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is KQMNZWQENYLPSX-DNTJNYDQSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c1-25-13-5-2-11(3-6-13)8-20-21-14(23)10-22-9-12(16(17,18)19)4-7-15(22)24/h2-9H,10H2,1H3,(H,21,23)/b20-8+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 353.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 6899829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).