2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]acetamide

C10H10F3N3O2 — CID 171823081

IUPAC2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]acetamide
SMILESCOCC(=O)NN=Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F3N3O2/c1-18-6-9(17)16-15-5-8-3-2-7(4-14-8)10(11,12)13/h2-5H,6H2,1H3,(H,16,17)
InChIKeyWZFKKYUCJGDANA-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.20
Rot. Bonds4

About 2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]acetamide

2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]acetamide (PubChem CID 171823081) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]acetamide
PubChem CID171823081
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]acetamide
SMILESCOCC(=O)NN=Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F3N3O2/c1-18-6-9(17)16-15-5-8-3-2-7(4-14-8)10(11,12)13/h2-5H,6H2,1H3,(H,16,17)
InChIKeyWZFKKYUCJGDANA-UHFFFAOYSA-N
XLogP1.20
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.20
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]acetamide?
The IUPAC name of 2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]acetamide (CID 171823081) is 2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]acetamide.
What is the SMILES notation for 2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]acetamide?
The canonical SMILES for 2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]acetamide is COCC(=O)NN=Cc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]acetamide?
The InChIKey is WZFKKYUCJGDANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c1-18-6-9(17)16-15-5-8-3-2-7(4-14-8)10(11,12)13/h2-5H,6H2,1H3,(H,16,17).
What are the key properties of 2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]acetamide?
2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]acetamide has a molecular weight of 261.20 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]acetamide is sourced from PubChem (CID 171823081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).