N-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide

C21H23F3N2O2 — CID 171903982

IUPACN-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESCc1ccc(C(CC2CCCC2)NC(=O)C2C=CC(C(F)(F)F)=NC2=O)cc1
InChIInChI=1S/C21H23F3N2O2/c1-13-6-8-15(9-7-13)17(12-14-4-2-3-5-14)25-19(27)16-10-11-18(21(22,23)24)26-20(16)28/h6-11,14,16-17H,2-5,12H2,1H3,(H,25,27)
InChIKeyQUJQKMHSBIGHMN-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.45
Rot. Bonds5

About N-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide

N-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (PubChem CID 171903982) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
PubChem CID171903982
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESCc1ccc(C(CC2CCCC2)NC(=O)C2C=CC(C(F)(F)F)=NC2=O)cc1
InChIInChI=1S/C21H23F3N2O2/c1-13-6-8-15(9-7-13)17(12-14-4-2-3-5-14)25-19(27)16-10-11-18(21(22,23)24)26-20(16)28/h6-11,14,16-17H,2-5,12H2,1H3,(H,25,27)
InChIKeyQUJQKMHSBIGHMN-UHFFFAOYSA-N
XLogP4.45
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
CID 171903937
N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903961
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
CID 64824324
N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
CID 129412239
N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119314809
(3R)-3-(4-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 7084661
2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978215
(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide
CID 44628875
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyclopentyl-N-methylethanamine
CID 115847452
2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975840

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The IUPAC name of N-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (CID 171903982) is N-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is Cc1ccc(C(CC2CCCC2)NC(=O)C2C=CC(C(F)(F)F)=NC2=O)cc1.
What is the InChIKey of N-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The InChIKey is QUJQKMHSBIGHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-13-6-8-15(9-7-13)17(12-14-4-2-3-5-14)25-19(27)16-10-11-18(21(22,23)24)26-20(16)28/h6-11,14,16-17H,2-5,12H2,1H3,(H,25,27).
What are the key properties of N-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
N-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is sourced from PubChem (CID 171903982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).