N-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C15H19F3N2O3 — CID 111459955

IUPACN-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCC1CCCC(O)C1
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)12-5-2-6-20(14(12)23)9-13(22)19-8-10-3-1-4-11(21)7-10/h2,5-6,10-11,21H,1,3-4,7-9H2,(H,19,22)
InChIKeyXTHFYWJLSSMIEW-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.53
Rot. Bonds4

About N-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111459955) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111459955
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCC1CCCC(O)C1
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)12-5-2-6-20(14(12)23)9-13(22)19-8-10-3-1-4-11(21)7-10/h2,5-6,10-11,21H,1,3-4,7-9H2,(H,19,22)
InChIKeyXTHFYWJLSSMIEW-UHFFFAOYSA-N
XLogP1.53
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)cyclohexyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 109618483
N-[2-(hydroxymethyl)cyclohexyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 109870184
N-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 110884955
N-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111115798
N-(2-cyclopentyl-2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111426111
N-(4-hydroxy-2-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111447317
N-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111459981
N-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111460869
N-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111463222
1-[(3-hydroxycyclohexyl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 111474049
N-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111480018
N-(2-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 112297719

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111459955) is N-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is XTHFYWJLSSMIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c16-15(17,18)12-5-2-6-20(14(12)23)9-13(22)19-8-10-3-1-4-11(21)7-10/h2,5-6,10-11,21H,1,3-4,7-9H2,(H,19,22).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 332.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111459955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).