N-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C20H25F3N2O2 — CID 31955114

IUPACN-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25F3N2O2/c21-20(22,23)16-2-1-5-25(18(16)27)12-17(26)24-4-3-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-2,5,13-15H,3-4,6-12H2,(H,24,26)
InChIKeyAZXBYKIOGLBCCT-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 31955114) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID31955114
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC NameN-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25F3N2O2/c21-20(22,23)16-2-1-5-25(18(16)27)12-17(26)24-4-3-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-2,5,13-15H,3-4,6-12H2,(H,24,26)
InChIKeyAZXBYKIOGLBCCT-UHFFFAOYSA-N
XLogP3.59
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 31955114) is N-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is AZXBYKIOGLBCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O2/c21-20(22,23)16-2-1-5-25(18(16)27)12-17(26)24-4-3-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-2,5,13-15H,3-4,6-12H2,(H,24,26).
What are the key properties of N-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 382.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 31955114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).