N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide

C13H15F3N2O2 — CID 138024052

IUPACN-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(O)C1(NC(=O)Cc2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H15F3N2O2/c1-8(19)12(5-6-12)18-11(20)7-9-3-2-4-10(17-9)13(14,15)16/h2-4,8,19H,5-7H2,1H3,(H,18,20)
InChIKeyCCMRSEMWGMUQPA-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.67
Rot. Bonds4

About N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide

N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 138024052) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID138024052
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(O)C1(NC(=O)Cc2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H15F3N2O2/c1-8(19)12(5-6-12)18-11(20)7-9-3-2-4-10(17-9)13(14,15)16/h2-4,8,19H,5-7H2,1H3,(H,18,20)
InChIKeyCCMRSEMWGMUQPA-UHFFFAOYSA-N
XLogP1.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 166277022
2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide
CID 123230614
2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513
N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 68701165
N-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 138053973
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
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 136565681
2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 67968360
2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 171538306
methyl 2-(6-tert-butyl-2-pyridinyl)acetate
CID 176631988
4-[[6-(1,1-difluoroethyl)-2-pyridinyl]methylamino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 167779807

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (CID 138024052) is N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is CC(O)C1(NC(=O)Cc2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is CCMRSEMWGMUQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8(19)12(5-6-12)18-11(20)7-9-3-2-4-10(17-9)13(14,15)16/h2-4,8,19H,5-7H2,1H3,(H,18,20).
What are the key properties of N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 288.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 138024052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).