N-methyl-N-(4-methylcyclohexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H21F3N2O2 — CID 78800650

IUPACN-methyl-N-(4-methylcyclohexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC1CCC(N(C)C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1
InChIInChI=1S/C16H21F3N2O2/c1-11-3-6-13(7-4-11)20(2)15(23)10-21-9-12(16(17,18)19)5-8-14(21)22/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3
InChIKeyDDIRKPKLNNVUJB-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.90
Rot. Bonds3

About N-methyl-N-(4-methylcyclohexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-methyl-N-(4-methylcyclohexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 78800650) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID78800650
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC1CCC(N(C)C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1
InChIInChI=1S/C16H21F3N2O2/c1-11-3-6-13(7-4-11)20(2)15(23)10-21-9-12(16(17,18)19)5-8-14(21)22/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3
InChIKeyDDIRKPKLNNVUJB-UHFFFAOYSA-N
XLogP2.90
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 78800650) is N-methyl-N-(4-methylcyclohexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC1CCC(N(C)C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is DDIRKPKLNNVUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-11-3-6-13(7-4-11)20(2)15(23)10-21-9-12(16(17,18)19)5-8-14(21)22/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-methyl-N-(4-methylcyclohexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 330.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 78800650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).