2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C18H17F3N2O3 — CID 17472720

IUPAC2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1
InChIInChI=1S/C18H17F3N2O3/c1-10(2)11-3-5-12(6-4-11)14(24)9-23-15(18(19,20)21)8-7-13(16(22)25)17(23)26/h3-8,10H,9H2,1-2H3,(H2,22,25)
InChIKeyCHHRDEBLQAEUHM-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.97
Rot. Bonds5

About 2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 17472720) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID17472720
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1
InChIInChI=1S/C18H17F3N2O3/c1-10(2)11-3-5-12(6-4-11)14(24)9-23-15(18(19,20)21)8-7-13(16(22)25)17(23)26/h3-8,10H,9H2,1-2H3,(H2,22,25)
InChIKeyCHHRDEBLQAEUHM-UHFFFAOYSA-N
XLogP2.97
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39025326
3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one
CID 93213290
4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one
CID 64565089
1-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47021752
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
6-oxo-6-(4-propan-2-ylphenyl)hexanamide
CID 174637388
5-iodo-6-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one
CID 66339795
2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanylacetic acid
CID 146004506
4,5-dichloro-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridazin-3-one
CID 8862790
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
4-propan-2-yl-2-sulfanylbenzamide
CID 155744664
2-[(2-amino-2-oxoethyl)-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]amino]acetamide
CID 62923142

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 17472720) is 2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)c1ccc(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1.
What is the InChIKey of 2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CHHRDEBLQAEUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-10(2)11-3-5-12(6-4-11)14(24)9-23-15(18(19,20)21)8-7-13(16(22)25)17(23)26/h3-8,10H,9H2,1-2H3,(H2,22,25).
What are the key properties of 2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 17472720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).