N-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C15H19F3N2O2 — CID 7633475

IUPACN-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C15H19F3N2O2/c1-10-4-2-3-5-12(10)19-13(21)9-20-8-11(15(16,17)18)6-7-14(20)22/h6-8,10,12H,2-5,9H2,1H3,(H,19,21)/t10-,12-/m0/s1
InChIKeyHGSOUGKJVCUXBM-JQWIXIFHSA-N
MW316.32 g/mol
LogP2.56
Rot. Bonds3

About N-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 7633475) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID7633475
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C15H19F3N2O2/c1-10-4-2-3-5-12(10)19-13(21)9-20-8-11(15(16,17)18)6-7-14(20)22/h6-8,10,12H,2-5,9H2,1H3,(H,19,21)/t10-,12-/m0/s1
InChIKeyHGSOUGKJVCUXBM-JQWIXIFHSA-N
XLogP2.56
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 7633475) is N-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is HGSOUGKJVCUXBM-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-10-4-2-3-5-12(10)19-13(21)9-20-8-11(15(16,17)18)6-7-14(20)22/h6-8,10,12H,2-5,9H2,1H3,(H,19,21)/t10-,12-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 316.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 7633475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).