5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide

C12H11F3N4O — CID 66668146

IUPAC5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
SMILESCc1c(C(=O)NCC(F)(F)F)ncn1-c1cccnc1
InChIInChI=1S/C12H11F3N4O/c1-8-10(11(20)17-6-12(13,14)15)18-7-19(8)9-3-2-4-16-5-9/h2-5,7H,6H2,1H3,(H,17,20)
InChIKeyWNBUWYLRAFADOJ-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.87
Rot. Bonds3

About 5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide

5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide (PubChem CID 66668146) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
PubChem CID66668146
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
SMILESCc1c(C(=O)NCC(F)(F)F)ncn1-c1cccnc1
InChIInChI=1S/C12H11F3N4O/c1-8-10(11(20)17-6-12(13,14)15)18-7-19(8)9-3-2-4-16-5-9/h2-5,7H,6H2,1H3,(H,17,20)
InChIKeyWNBUWYLRAFADOJ-UHFFFAOYSA-N
XLogP1.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 175833514
ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate
CID 42647388
6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 10013611
6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 58336851
3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 126796065
5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 66666207
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30348708
N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide
CID 104857933
3-(2-methylsulfanylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 47045716
5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 69477331
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55933026
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The IUPAC name of 5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide (CID 66668146) is 5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide is Cc1c(C(=O)NCC(F)(F)F)ncn1-c1cccnc1.
What is the InChIKey of 5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The InChIKey is WNBUWYLRAFADOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-8-10(11(20)17-6-12(13,14)15)18-7-19(8)9-3-2-4-16-5-9/h2-5,7H,6H2,1H3,(H,17,20).
What are the key properties of 5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide is sourced from PubChem (CID 66668146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).