N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C24H23F3N2O2 — CID 155464240

IUPACN-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)Cc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)cc1
InChIInChI=1S/C24H23F3N2O2/c1-15(2)14-16-8-10-18(11-9-16)21(17-6-4-3-5-7-17)29-23(31)19-12-13-20(24(25,26)27)28-22(19)30/h3-13,15,21H,14H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyLWOYBQYOGIRENE-UHFFFAOYSA-N
MW428.45 g/mol
LogP5.11
Rot. Bonds6

About N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464240) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464240
Molecular FormulaC24H23F3N2O2
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC NameN-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)Cc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)cc1
InChIInChI=1S/C24H23F3N2O2/c1-15(2)14-16-8-10-18(11-9-16)21(17-6-4-3-5-7-17)29-23(31)19-12-13-20(24(25,26)27)28-22(19)30/h3-13,15,21H,14H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyLWOYBQYOGIRENE-UHFFFAOYSA-N
XLogP5.11
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464240) is N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC(C)Cc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is LWOYBQYOGIRENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c1-15(2)14-16-8-10-18(11-9-16)21(17-6-4-3-5-7-17)29-23(31)19-12-13-20(24(25,26)27)28-22(19)30/h3-13,15,21H,14H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).