2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide

C27H29F3N4O2 — CID 24861726

IUPAC2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCc1ccccc1-c1nc(N2CCC(NC(=O)C(C)C)CC2)cc(=O)n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H29F3N4O2/c1-17(2)26(36)31-20-12-14-33(15-13-20)23-16-24(35)34(21-10-8-19(9-11-21)27(28,29)30)25(32-23)22-7-5-4-6-18(22)3/h4-11,16-17,20H,12-15H2,1-3H3,(H,31,36)
InChIKeyZHAYVXMTSYQOFW-UHFFFAOYSA-N
MW498.55 g/mol
LogP4.97
Rot. Bonds5

About 2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide

2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide (PubChem CID 24861726) has the molecular formula C27H29F3N4O2 and a molecular weight of 498.55 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide
PubChem CID24861726
Molecular FormulaC27H29F3N4O2
Molecular Weight498.55 g/mol
Exact Mass498.22
IUPAC Name2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCc1ccccc1-c1nc(N2CCC(NC(=O)C(C)C)CC2)cc(=O)n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H29F3N4O2/c1-17(2)26(36)31-20-12-14-33(15-13-20)23-16-24(35)34(21-10-8-19(9-11-21)27(28,29)30)25(32-23)22-7-5-4-6-18(22)3/h4-11,16-17,20H,12-15H2,1-3H3,(H,31,36)
InChIKeyZHAYVXMTSYQOFW-UHFFFAOYSA-N
XLogP4.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide 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 2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide (CID 24861726) is 2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide is Cc1ccccc1-c1nc(N2CCC(NC(=O)C(C)C)CC2)cc(=O)n1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide?
The InChIKey is ZHAYVXMTSYQOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4O2/c1-17(2)26(36)31-20-12-14-33(15-13-20)23-16-24(35)34(21-10-8-19(9-11-21)27(28,29)30)25(32-23)22-7-5-4-6-18(22)3/h4-11,16-17,20H,12-15H2,1-3H3,(H,31,36).
What are the key properties of 2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide?
2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide has a molecular weight of 498.55 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 24861726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).