N-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide

C13H13F3N4O — CID 138053973

IUPACN-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCCn1ccnc1NC(=O)Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O/c1-2-20-7-6-17-12(20)19-11(21)8-9-4-3-5-10(18-9)13(14,15)16/h3-7H,2,8H2,1H3,(H,17,19,21)
InChIKeyGCIKBYNGPPOSAR-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.50
Rot. Bonds4

About N-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide

N-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 138053973) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is N-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID138053973
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC NameN-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCCn1ccnc1NC(=O)Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O/c1-2-20-7-6-17-12(20)19-11(21)8-9-4-3-5-10(18-9)13(14,15)16/h3-7H,2,8H2,1H3,(H,17,19,21)
InChIKeyGCIKBYNGPPOSAR-UHFFFAOYSA-N
XLogP2.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 136565681
2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513
N-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 166379897
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 154786179
2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide
CID 123230614
2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid
CID 131137829
N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 68701165
N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 138024052
2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 171538306
1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 166277022
2-amino-N-(1-ethylimidazol-2-yl)butanamide
CID 131165493
N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide
CID 126793994

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (CID 138053973) is N-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is CCn1ccnc1NC(=O)Cc1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is GCIKBYNGPPOSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-2-20-7-6-17-12(20)19-11(21)8-9-4-3-5-10(18-9)13(14,15)16/h3-7H,2,8H2,1H3,(H,17,19,21).
What are the key properties of N-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
N-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 298.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 138053973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).