N-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C14H13F3N4O2 — CID 138052328

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cccn(CC(F)(F)F)c2=O)n1
InChIInChI=1S/C14H13F3N4O2/c1-8-6-9(2)19-13(18-8)20-11(22)10-4-3-5-21(12(10)23)7-14(15,16)17/h3-6H,7H2,1-2H3,(H,18,19,20,22)
InChIKeyGMTUPTAAKRGPKO-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.07
Rot. Bonds3

About N-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 138052328) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID138052328
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cccn(CC(F)(F)F)c2=O)n1
InChIInChI=1S/C14H13F3N4O2/c1-8-6-9(2)19-13(18-8)20-11(22)10-4-3-5-21(12(10)23)7-14(15,16)17/h3-6H,7H2,1-2H3,(H,18,19,20,22)
InChIKeyGMTUPTAAKRGPKO-UHFFFAOYSA-N
XLogP2.07
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 138052328) is N-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is Cc1cc(C)nc(NC(=O)c2cccn(CC(F)(F)F)c2=O)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is GMTUPTAAKRGPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c1-8-6-9(2)19-13(18-8)20-11(22)10-4-3-5-21(12(10)23)7-14(15,16)17/h3-6H,7H2,1-2H3,(H,18,19,20,22).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 326.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 138052328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).