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

C16H14F3N3O3 — CID 2318393

IUPACN-[(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCOc1ccc(C=NNC(=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)
InChIKeyKQMNZWQENYLPSX-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.03
Rot. Bonds5

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

N-[(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2318393) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2318393
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC NameN-[(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCOc1ccc(C=NNC(=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)
InChIKeyKQMNZWQENYLPSX-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2318393) is N-[(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is COc1ccc(C=NNC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is KQMNZWQENYLPSX-UHFFFAOYSA-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).
What are the key properties of N-[(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(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-[(4-methoxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2318393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).