N-cyclohexyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide

C16H21F3N2O2 — CID 72874488

IUPACN-cyclohexyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESCc1cc(C(F)(F)F)cc(=O)n1C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C16H21F3N2O2/c1-10-8-12(16(17,18)19)9-14(22)21(10)11(2)15(23)20-13-6-4-3-5-7-13/h8-9,11,13H,3-7H2,1-2H3,(H,20,23)
InChIKeyDWTYEBYDNSBRPT-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.19
Rot. Bonds3

About N-cyclohexyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide

N-cyclohexyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide (PubChem CID 72874488) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide
PubChem CID72874488
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-cyclohexyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESCc1cc(C(F)(F)F)cc(=O)n1C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C16H21F3N2O2/c1-10-8-12(16(17,18)19)9-14(22)21(10)11(2)15(23)20-13-6-4-3-5-7-13/h8-9,11,13H,3-7H2,1-2H3,(H,20,23)
InChIKeyDWTYEBYDNSBRPT-UHFFFAOYSA-N
XLogP3.19
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide?
The IUPAC name of N-cyclohexyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide (CID 72874488) is N-cyclohexyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide is Cc1cc(C(F)(F)F)cc(=O)n1C(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide?
The InChIKey is DWTYEBYDNSBRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-10-8-12(16(17,18)19)9-14(22)21(10)11(2)15(23)20-13-6-4-3-5-7-13/h8-9,11,13H,3-7H2,1-2H3,(H,20,23).
What are the key properties of N-cyclohexyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide?
N-cyclohexyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide has a molecular weight of 330.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide is sourced from PubChem (CID 72874488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).