2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

C17H18F3N5O2 — CID 55705508

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H18F3N5O2/c18-17(19,20)12-2-3-15(27)25(10-12)11-14(26)23-13-4-8-24(9-5-13)16-21-6-1-7-22-16/h1-3,6-7,10,13H,4-5,8-9,11H2,(H,23,26)
InChIKeyRODYVJVZCFXNAV-UHFFFAOYSA-N
MW381.36 g/mol
LogP1.44
Rot. Bonds4

About 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (PubChem CID 55705508) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
PubChem CID55705508
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H18F3N5O2/c18-17(19,20)12-2-3-15(27)25(10-12)11-14(26)23-13-4-8-24(9-5-13)16-21-6-1-7-22-16/h1-3,6-7,10,13H,4-5,8-9,11H2,(H,23,26)
InChIKeyRODYVJVZCFXNAV-UHFFFAOYSA-N
XLogP1.44
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (CID 55705508) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The InChIKey is RODYVJVZCFXNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c18-17(19,20)12-2-3-15(27)25(10-12)11-14(26)23-13-4-8-24(9-5-13)16-21-6-1-7-22-16/h1-3,6-7,10,13H,4-5,8-9,11H2,(H,23,26).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide has a molecular weight of 381.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 55705508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).