N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H16F3N3O3 — CID 78958114

IUPACN-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCCn1cc(NC(=O)CNCC(F)(F)F)ccc1=O
InChIInChI=1S/C12H16F3N3O3/c1-21-5-4-18-7-9(2-3-11(18)20)17-10(19)6-16-8-12(13,14)15/h2-3,7,16H,4-6,8H2,1H3,(H,17,19)
InChIKeyUUZLMZBNSQAGQM-UHFFFAOYSA-N
MW307.27 g/mol
LogP0.59
Rot. Bonds7

About N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958114) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958114
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC NameN-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCCn1cc(NC(=O)CNCC(F)(F)F)ccc1=O
InChIInChI=1S/C12H16F3N3O3/c1-21-5-4-18-7-9(2-3-11(18)20)17-10(19)6-16-8-12(13,14)15/h2-3,7,16H,4-6,8H2,1H3,(H,17,19)
InChIKeyUUZLMZBNSQAGQM-UHFFFAOYSA-N
XLogP0.59
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958114) is N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide is COCCn1cc(NC(=O)CNCC(F)(F)F)ccc1=O.
What is the InChIKey of N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is UUZLMZBNSQAGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-21-5-4-18-7-9(2-3-11(18)20)17-10(19)6-16-8-12(13,14)15/h2-3,7,16H,4-6,8H2,1H3,(H,17,19).
What are the key properties of N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 307.27 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).