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

C20H25F3N2O2 — CID 37364803

IUPACN-(1-adamantylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C20H25F3N2O2/c1-24(12-19-8-13-5-14(9-19)7-15(6-13)10-19)17(26)11-25-4-2-3-16(18(25)27)20(21,22)23/h2-4,13-15H,5-12H2,1H3
InChIKeyUJOZINYMKRAKOR-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.54
Rot. Bonds4

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

N-(1-adamantylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 37364803) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID37364803
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC NameN-(1-adamantylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C20H25F3N2O2/c1-24(12-19-8-13-5-14(9-19)7-15(6-13)10-19)17(26)11-25-4-2-3-16(18(25)27)20(21,22)23/h2-4,13-15H,5-12H2,1H3
InChIKeyUJOZINYMKRAKOR-UHFFFAOYSA-N
XLogP3.54
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 37364803) is N-(1-adamantylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-(1-adamantylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is UJOZINYMKRAKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O2/c1-24(12-19-8-13-5-14(9-19)7-15(6-13)10-19)17(26)11-25-4-2-3-16(18(25)27)20(21,22)23/h2-4,13-15H,5-12H2,1H3.
What are the key properties of N-(1-adamantylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(1-adamantylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 382.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 37364803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).