N-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C15H18F3N3O2 — CID 47938357

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NC1CCN(C2CC2)C1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)12-2-1-6-21(14(12)23)9-13(22)19-10-5-7-20(8-10)11-3-4-11/h1-2,6,10-11H,3-5,7-9H2,(H,19,22)
InChIKeyVLVKRASDZHMFJN-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.22
Rot. Bonds4

About N-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 47938357) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID47938357
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NC1CCN(C2CC2)C1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)12-2-1-6-21(14(12)23)9-13(22)19-10-5-7-20(8-10)11-3-4-11/h1-2,6,10-11H,3-5,7-9H2,(H,19,22)
InChIKeyVLVKRASDZHMFJN-UHFFFAOYSA-N
XLogP1.22
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 47938357) is N-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)NC1CCN(C2CC2)C1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is VLVKRASDZHMFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c16-15(17,18)12-2-1-6-21(14(12)23)9-13(22)19-10-5-7-20(8-10)11-3-4-11/h1-2,6,10-11H,3-5,7-9H2,(H,19,22).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 329.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 47938357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).