2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C22H24F3N3O2 — CID 86934267

IUPAC2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2ccc(C(F)(F)F)nc2C)cc1
InChIInChI=1S/C22H24F3N3O2/c1-15-6-8-17(9-7-15)28(14-20(29)27-12-4-3-5-13-27)21(30)18-10-11-19(22(23,24)25)26-16(18)2/h6-11H,3-5,12-14H2,1-2H3
InChIKeyAVWQIEYTSMNMST-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.38
Rot. Bonds4

About 2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 86934267) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID86934267
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2ccc(C(F)(F)F)nc2C)cc1
InChIInChI=1S/C22H24F3N3O2/c1-15-6-8-17(9-7-15)28(14-20(29)27-12-4-3-5-13-27)21(30)18-10-11-19(22(23,24)25)26-16(18)2/h6-11H,3-5,12-14H2,1-2H3
InChIKeyAVWQIEYTSMNMST-UHFFFAOYSA-N
XLogP4.38
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
CID 24808495
1-(2-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 7802604
Azd9574
CID 162524593
Piberaline
CID 65975
Piperazine, 1-(4-acetylphenyl)-4-(3-pyridinylcarbonyl)-
CID 667603
Piperazine, 1-(3-pyridinylcarbonyl)-4-(3-(trifluoromethyl)phenyl)-
CID 667537
1-Benzoyl-4-(3-pyridinylcarbonyl)piperazine
CID 760104
Pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2604307
N-(2-fluorophenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 2795899
[2-Methyl-6-(trifluoromethyl)pyridin-3-yl](piperidino)methanone
CID 2796058
2-methyl-N-(2-morpholinophenyl)-6-(trifluoromethyl)nicotinamide
CID 2813416
[3-Methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 4883220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 86934267) is 2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2ccc(C(F)(F)F)nc2C)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is AVWQIEYTSMNMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c1-15-6-8-17(9-7-15)28(14-20(29)27-12-4-3-5-13-27)21(30)18-10-11-19(22(23,24)25)26-16(18)2/h6-11H,3-5,12-14H2,1-2H3.
What are the key properties of 2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 86934267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).