N-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide

C28H31F3N4O2 — CID 24861617

IUPACN-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide
SMILESCc1ccc(-c2nc(N3CCC(NC(=O)C(C)C)CC3)cc(=O)n2-c2ccc(C(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C28H31F3N4O2/c1-17(2)27(37)32-21-11-13-34(14-12-21)24-16-25(36)35(22-8-6-20(7-9-22)28(29,30)31)26(33-24)23-10-5-18(3)15-19(23)4/h5-10,15-17,21H,11-14H2,1-4H3,(H,32,37)
InChIKeyKIKJDOLAVNRLKU-UHFFFAOYSA-N
MW512.58 g/mol
LogP5.28
Rot. Bonds5

About N-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide

N-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 24861617) has the molecular formula C28H31F3N4O2 and a molecular weight of 512.58 g/mol. Its IUPAC name is N-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide
PubChem CID24861617
Molecular FormulaC28H31F3N4O2
Molecular Weight512.58 g/mol
Exact Mass512.24
IUPAC NameN-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide
SMILESCc1ccc(-c2nc(N3CCC(NC(=O)C(C)C)CC3)cc(=O)n2-c2ccc(C(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C28H31F3N4O2/c1-17(2)27(37)32-21-11-13-34(14-12-21)24-16-25(36)35(22-8-6-20(7-9-22)28(29,30)31)26(33-24)23-10-5-18(3)15-19(23)4/h5-10,15-17,21H,11-14H2,1-4H3,(H,32,37)
InChIKeyKIKJDOLAVNRLKU-UHFFFAOYSA-N
XLogP5.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.58
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide (CID 24861617) is N-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide is Cc1ccc(-c2nc(N3CCC(NC(=O)C(C)C)CC3)cc(=O)n2-c2ccc(C(F)(F)F)cc2)c(C)c1.
What is the InChIKey of N-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is KIKJDOLAVNRLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N4O2/c1-17(2)27(37)32-21-11-13-34(14-12-21)24-16-25(36)35(22-8-6-20(7-9-22)28(29,30)31)26(33-24)23-10-5-18(3)15-19(23)4/h5-10,15-17,21H,11-14H2,1-4H3,(H,32,37).
What are the key properties of N-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide?
N-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide has a molecular weight of 512.58 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 24861617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).