(2,6-dimethyl-4-pyridinyl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate

C28H29F3N4O5 — CID 10347721

About (2,6-dimethyl-4-pyridinyl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate

(2,6-dimethyl-4-pyridinyl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate (PubChem CID 10347721) has the molecular formula C28H29F3N4O5 and a molecular weight of 558.56 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate.

Molecular Properties

• Compound Name: (2,6-dimethyl-4-pyridinyl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate
• PubChem CID: 10347721
• Molecular Formula: C28H29F3N4O5
• Molecular Weight: 558.56 g/mol
• Exact Mass: 558.21
• IUPAC Name: (2,6-dimethyl-4-pyridinyl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate
• SMILES: Cc1cc(COC(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)cc(C)n1
• InChI: InChI=1S/C28H29F3N4O5/c1-16(2)24(25(37)28(29,30)31)34-23(36)14-35-22(20-8-6-5-7-9-20)11-10-21(26(35)38)33-27(39)40-15-19-12-17(3)32-18(4)13-19/h5-13,16,24H,14-15H2,1-4H3,(H,33,39)(H,34,36)
• InChIKey: PPKJSOZGHGROOV-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 119.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.56
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-pyridinyl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate?

The IUPAC name of (2,6-dimethyl-4-pyridinyl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate (CID 10347721) is (2,6-dimethyl-4-pyridinyl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate.

What is the SMILES notation for (2,6-dimethyl-4-pyridinyl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate?

The canonical SMILES for (2,6-dimethyl-4-pyridinyl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate is Cc1cc(COC(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)cc(C)n1.

What is the InChIKey of (2,6-dimethyl-4-pyridinyl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate?

The InChIKey is PPKJSOZGHGROOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O5/c1-16(2)24(25(37)28(29,30)31)34-23(36)14-35-22(20-8-6-5-7-9-20)11-10-21(26(35)38)33-27(39)40-15-19-12-17(3)32-18(4)13-19/h5-13,16,24H,14-15H2,1-4H3,(H,33,39)(H,34,36).

What are the key properties of (2,6-dimethyl-4-pyridinyl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate?

(2,6-dimethyl-4-pyridinyl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate has a molecular weight of 558.56 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-dimethyl-4-pyridinyl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate is sourced from PubChem (CID 10347721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).