2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide

C25H22F6N2O2 — CID 23502864

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide
SMILESCc1ccccc1-c1cc(=O)[nH]cc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H22F6N2O2/c1-14-7-5-6-8-18(14)19-12-21(34)32-13-20(19)33(4)22(35)23(2,3)15-9-16(24(26,27)28)11-17(10-15)25(29,30)31/h5-13H,1-4H3,(H,32,34)
InChIKeyGCIRIEZMAYLTIC-UHFFFAOYSA-N
MW496.45 g/mol
LogP6.33
Rot. Bonds4

About 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide (PubChem CID 23502864) has the molecular formula C25H22F6N2O2 and a molecular weight of 496.45 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide
PubChem CID23502864
Molecular FormulaC25H22F6N2O2
Molecular Weight496.45 g/mol
Exact Mass496.16
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide
SMILESCc1ccccc1-c1cc(=O)[nH]cc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H22F6N2O2/c1-14-7-5-6-8-18(14)19-12-21(34)32-13-20(19)33(4)22(35)23(2,3)15-9-16(24(26,27)28)11-17(10-15)25(29,30)31/h5-13H,1-4H3,(H,32,34)
InChIKeyGCIRIEZMAYLTIC-UHFFFAOYSA-N
XLogP6.33
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.45
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide (CID 23502864) is 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide is Cc1ccccc1-c1cc(=O)[nH]cc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide?
The InChIKey is GCIRIEZMAYLTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F6N2O2/c1-14-7-5-6-8-18(14)19-12-21(34)32-13-20(19)33(4)22(35)23(2,3)15-9-16(24(26,27)28)11-17(10-15)25(29,30)31/h5-13H,1-4H3,(H,32,34).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide has a molecular weight of 496.45 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide is sourced from PubChem (CID 23502864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).