2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide

C17H18F3N3O3 — CID 55742278

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
SMILESCC(C)Oc1ncccc1CNC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C17H18F3N3O3/c1-11(2)26-16-12(4-3-7-21-16)8-22-14(24)10-23-9-13(17(18,19)20)5-6-15(23)25/h3-7,9,11H,8,10H2,1-2H3,(H,22,24)
InChIKeyZDRCFBXAGYNCSQ-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.37
Rot. Bonds6

About 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide (PubChem CID 55742278) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
PubChem CID55742278
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
SMILESCC(C)Oc1ncccc1CNC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C17H18F3N3O3/c1-11(2)26-16-12(4-3-7-21-16)8-22-14(24)10-23-9-13(17(18,19)20)5-6-15(23)25/h3-7,9,11H,8,10H2,1-2H3,(H,22,24)
InChIKeyZDRCFBXAGYNCSQ-UHFFFAOYSA-N
XLogP2.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide (CID 55742278) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide is CC(C)Oc1ncccc1CNC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The InChIKey is ZDRCFBXAGYNCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-11(2)26-16-12(4-3-7-21-16)8-22-14(24)10-23-9-13(17(18,19)20)5-6-15(23)25/h3-7,9,11H,8,10H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide has a molecular weight of 369.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 55742278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).