2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide

C18H15F3N2O3 — CID 166219256

IUPAC2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
SMILESCc1cc(O)cc(=O)n1CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O3/c1-12-9-15(24)10-17(26)23(12)11-16(25)22-8-2-3-13-4-6-14(7-5-13)18(19,20)21/h4-7,9-10,24H,8,11H2,1H3,(H,22,25)
InChIKeyHKZSOJJCABIUBP-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.05
Rot. Bonds3

About 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide

2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide (PubChem CID 166219256) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
PubChem CID166219256
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
SMILESCc1cc(O)cc(=O)n1CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O3/c1-12-9-15(24)10-17(26)23(12)11-16(25)22-8-2-3-13-4-6-14(7-5-13)18(19,20)21/h4-7,9-10,24H,8,11H2,1H3,(H,22,25)
InChIKeyHKZSOJJCABIUBP-UHFFFAOYSA-N
XLogP2.05
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 114777631
N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51332685
2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-(pyridin-2-ylmethyl)acetamide
CID 75489429
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-4-(trifluoromethyl)benzamide
CID 90551871
2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]acetamide
CID 154862308
2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide
CID 90548247
2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 32735659
N-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide
CID 11682310
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide
CID 31871907
2-(3-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550585
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 31871462
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-3,5-bis(trifluoromethyl)benzamide
CID 90550067

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
The IUPAC name of 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide (CID 166219256) is 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide.
What is the SMILES notation for 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
The canonical SMILES for 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide is Cc1cc(O)cc(=O)n1CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
The InChIKey is HKZSOJJCABIUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-12-9-15(24)10-17(26)23(12)11-16(25)22-8-2-3-13-4-6-14(7-5-13)18(19,20)21/h4-7,9-10,24H,8,11H2,1H3,(H,22,25).
What are the key properties of 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide has a molecular weight of 364.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide is sourced from PubChem (CID 166219256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).