3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

C12H6F6N4O2 — CID 103596184

IUPAC3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC(=O)c1ncc(C(F)(F)F)cc1-n1cnc(C(F)(F)F)cc1=O
InChIInChI=1S/C12H6F6N4O2/c13-11(14,15)5-1-6(9(10(19)24)20-3-5)22-4-21-7(2-8(22)23)12(16,17)18/h1-4H,(H2,19,24)
InChIKeyAALCMWJDNXIVCG-UHFFFAOYSA-N
MW352.19 g/mol
LogP1.76
Rot. Bonds2

About 3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 103596184) has the molecular formula C12H6F6N4O2 and a molecular weight of 352.19 g/mol. Its IUPAC name is 3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID103596184
Molecular FormulaC12H6F6N4O2
Molecular Weight352.19 g/mol
Exact Mass352.04
IUPAC Name3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC(=O)c1ncc(C(F)(F)F)cc1-n1cnc(C(F)(F)F)cc1=O
InChIInChI=1S/C12H6F6N4O2/c13-11(14,15)5-1-6(9(10(19)24)20-3-5)22-4-21-7(2-8(22)23)12(16,17)18/h1-4H,(H2,19,24)
InChIKeyAALCMWJDNXIVCG-UHFFFAOYSA-N
XLogP1.76
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103596180
3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 66545196
3-(4-amino-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-one
CID 103596154
3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid
CID 67467045
3-(3,5-dichlorophenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 3780229
3-(4-fluorophenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 1478735
3-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-(trifluoromethyl)pyrimidin-4-one
CID 103596190
3-[2,6-dibromo-4-(trifluoromethyl)phenyl]-6-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-one
CID 150532651
2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 134461677
5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130865841
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
ethyl 3-iodo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133096652

Frequently Asked Questions

What is the IUPAC name of 3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 103596184) is 3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is NC(=O)c1ncc(C(F)(F)F)cc1-n1cnc(C(F)(F)F)cc1=O.
What is the InChIKey of 3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is AALCMWJDNXIVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6N4O2/c13-11(14,15)5-1-6(9(10(19)24)20-3-5)22-4-21-7(2-8(22)23)12(16,17)18/h1-4H,(H2,19,24).
What are the key properties of 3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 352.19 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 103596184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).