2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide

C12H8ClF3N4O2 — CID 2462904

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ncccn1
InChIInChI=1S/C12H8ClF3N4O2/c13-8-4-7(12(14,15)16)5-20(10(8)22)6-9(21)19-11-17-2-1-3-18-11/h1-5H,6H2,(H,17,18,19,21)
InChIKeySSMXQUFCOADCRX-UHFFFAOYSA-N
MW332.67 g/mol
LogP1.95
Rot. Bonds3

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide (PubChem CID 2462904) has the molecular formula C12H8ClF3N4O2 and a molecular weight of 332.67 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide
PubChem CID2462904
Molecular FormulaC12H8ClF3N4O2
Molecular Weight332.67 g/mol
Exact Mass332.03
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ncccn1
InChIInChI=1S/C12H8ClF3N4O2/c13-8-4-7(12(14,15)16)5-20(10(8)22)6-9(21)19-11-17-2-1-3-18-11/h1-5H,6H2,(H,17,18,19,21)
InChIKeySSMXQUFCOADCRX-UHFFFAOYSA-N
XLogP1.95
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide (CID 2462904) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ncccn1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide?
The InChIKey is SSMXQUFCOADCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N4O2/c13-8-4-7(12(14,15)16)5-20(10(8)22)6-9(21)19-11-17-2-1-3-18-11/h1-5H,6H2,(H,17,18,19,21).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide has a molecular weight of 332.67 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 2462904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).