N-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide

C18H19F3N4O — CID 166379897

IUPACN-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)n1)Nc1ncc(C2CCCCC2)cn1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)15-8-4-7-14(24-15)9-16(26)25-17-22-10-13(11-23-17)12-5-2-1-3-6-12/h4,7-8,10-12H,1-3,5-6,9H2,(H,22,23,25,26)
InChIKeyODINPMKUSCALSL-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.12
Rot. Bonds4

About N-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide

N-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 166379897) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID166379897
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC NameN-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)n1)Nc1ncc(C2CCCCC2)cn1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)15-8-4-7-14(24-15)9-16(26)25-17-22-10-13(11-23-17)12-5-2-1-3-6-12/h4,7-8,10-12H,1-3,5-6,9H2,(H,22,23,25,26)
InChIKeyODINPMKUSCALSL-UHFFFAOYSA-N
XLogP4.12
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (CID 166379897) is N-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is O=C(Cc1cccc(C(F)(F)F)n1)Nc1ncc(C2CCCCC2)cn1.
What is the InChIKey of N-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is ODINPMKUSCALSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)15-8-4-7-14(24-15)9-16(26)25-17-22-10-13(11-23-17)12-5-2-1-3-6-12/h4,7-8,10-12H,1-3,5-6,9H2,(H,22,23,25,26).
What are the key properties of N-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
N-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 364.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexylpyrimidin-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 166379897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).