N-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide

C13H12F3N3O3 — CID 138004550

IUPACN-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide
SMILESCCc1ncc(NC(=O)c2ccc(OCC(F)(F)F)o2)cn1
InChIInChI=1S/C13H12F3N3O3/c1-2-10-17-5-8(6-18-10)19-12(20)9-3-4-11(22-9)21-7-13(14,15)16/h3-6H,2,7H2,1H3,(H,19,20)
InChIKeyDZWUNCVDHOSXAJ-UHFFFAOYSA-N
MW315.25 g/mol
LogP2.83
Rot. Bonds5

About N-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide

N-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide (PubChem CID 138004550) has the molecular formula C13H12F3N3O3 and a molecular weight of 315.25 g/mol. Its IUPAC name is N-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide
PubChem CID138004550
Molecular FormulaC13H12F3N3O3
Molecular Weight315.25 g/mol
Exact Mass315.08
IUPAC NameN-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide
SMILESCCc1ncc(NC(=O)c2ccc(OCC(F)(F)F)o2)cn1
InChIInChI=1S/C13H12F3N3O3/c1-2-10-17-5-8(6-18-10)19-12(20)9-3-4-11(22-9)21-7-13(14,15)16/h3-6H,2,7H2,1H3,(H,19,20)
InChIKeyDZWUNCVDHOSXAJ-UHFFFAOYSA-N
XLogP2.83
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide
CID 56961282
methyl N-(2-ethylpyrimidin-5-yl)carbamate
CID 126992347
4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010354
N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide
CID 56951327
4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 136520401
N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 79095580
5-bromo-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)anilino]ethyl]phenyl]furan-2-carboxamide
CID 55851418
N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 136516823
N-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 162763895
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 46421870
5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55776153

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide?
The IUPAC name of N-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide (CID 138004550) is N-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide.
What is the SMILES notation for N-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide?
The canonical SMILES for N-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide is CCc1ncc(NC(=O)c2ccc(OCC(F)(F)F)o2)cn1.
What is the InChIKey of N-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide?
The InChIKey is DZWUNCVDHOSXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3/c1-2-10-17-5-8(6-18-10)19-12(20)9-3-4-11(22-9)21-7-13(14,15)16/h3-6H,2,7H2,1H3,(H,19,20).
What are the key properties of N-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide?
N-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide has a molecular weight of 315.25 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrimidin-5-yl)-5-(2,2,2-trifluoroethoxy)furan-2-carboxamide is sourced from PubChem (CID 138004550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).