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

C20H25F3N2O2 — CID 42887749

IUPACN-[1-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(NC(=O)Cn1cccc(C(F)(F)F)c1=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25F3N2O2/c1-12(19-8-13-5-14(9-19)7-15(6-13)10-19)24-17(26)11-25-4-2-3-16(18(25)27)20(21,22)23/h2-4,12-15H,5-11H2,1H3,(H,24,26)
InChIKeyLUJSOWRLHCURPV-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.59
Rot. Bonds4

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

N-[1-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 42887749) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID42887749
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(NC(=O)Cn1cccc(C(F)(F)F)c1=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25F3N2O2/c1-12(19-8-13-5-14(9-19)7-15(6-13)10-19)24-17(26)11-25-4-2-3-16(18(25)27)20(21,22)23/h2-4,12-15H,5-11H2,1H3,(H,24,26)
InChIKeyLUJSOWRLHCURPV-UHFFFAOYSA-N
XLogP3.59
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 42887749) is N-[1-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CC(NC(=O)Cn1cccc(C(F)(F)F)c1=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is LUJSOWRLHCURPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O2/c1-12(19-8-13-5-14(9-19)7-15(6-13)10-19)24-17(26)11-25-4-2-3-16(18(25)27)20(21,22)23/h2-4,12-15H,5-11H2,1H3,(H,24,26).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[1-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 382.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 42887749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).