N-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C15H17F3N2O2 — CID 36574646

IUPACN-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NC(C1CC1)C1CC1
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)11-5-6-13(22)20(7-11)8-12(21)19-14(9-1-2-9)10-3-4-10/h5-7,9-10,14H,1-4,8H2,(H,19,21)
InChIKeyTXILMUGZSWVQKU-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.17
Rot. Bonds5

About N-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 36574646) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID36574646
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC NameN-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NC(C1CC1)C1CC1
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)11-5-6-13(22)20(7-11)8-12(21)19-14(9-1-2-9)10-3-4-10/h5-7,9-10,14H,1-4,8H2,(H,19,21)
InChIKeyTXILMUGZSWVQKU-UHFFFAOYSA-N
XLogP2.17
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 36574646) is N-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is TXILMUGZSWVQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c16-15(17,18)11-5-6-13(22)20(7-11)8-12(21)19-14(9-1-2-9)10-3-4-10/h5-7,9-10,14H,1-4,8H2,(H,19,21).
What are the key properties of N-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 314.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 36574646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).