N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide

C26H31F3N4O3 — CID 59361554

About N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide

N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide (PubChem CID 59361554) has the molecular formula C26H31F3N4O3 and a molecular weight of 504.55 g/mol. Its IUPAC name is N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide
• PubChem CID: 59361554
• Molecular Formula: C26H31F3N4O3
• Molecular Weight: 504.55 g/mol
• Exact Mass: 504.23
• IUPAC Name: N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide
• SMILES: Cc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cc(C(F)(F)F)ccc4C)C3)CC2)cn1
• InChI: InChI=1S/C26H31F3N4O3/c1-16-3-5-18(26(27,28)29)11-22(16)24(35)31-13-23(34)32-20-14-33(15-20)21-7-9-25(36,10-8-21)19-6-4-17(2)30-12-19/h3-6,11-12,20-21,36H,7-10,13-15H2,1-2H3,(H,31,35)(H,32,34)
• InChIKey: UIQKHJQMACQGMV-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 94.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.55
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide?

The IUPAC name of N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide (CID 59361554) is N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide?

The canonical SMILES for N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide is Cc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cc(C(F)(F)F)ccc4C)C3)CC2)cn1.

What is the InChIKey of N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide?

The InChIKey is UIQKHJQMACQGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N4O3/c1-16-3-5-18(26(27,28)29)11-22(16)24(35)31-13-23(34)32-20-14-33(15-20)21-7-9-25(36,10-8-21)19-6-4-17(2)30-12-19/h3-6,11-12,20-21,36H,7-10,13-15H2,1-2H3,(H,31,35)(H,32,34).

What are the key properties of N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide?

N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 504.55 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 59361554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).