N,N,2-trimethyl-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide

C28H37F3N4O4 — CID 142321308

About N,N,2-trimethyl-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide

N,N,2-trimethyl-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 142321308) has the molecular formula C28H37F3N4O4 and a molecular weight of 550.62 g/mol. Its IUPAC name is N,N,2-trimethyl-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N,N,2-trimethyl-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 142321308
• Molecular Formula: C28H37F3N4O4
• Molecular Weight: 550.62 g/mol
• Exact Mass: 550.28
• IUPAC Name: N,N,2-trimethyl-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
• SMILES: COc1cccc([C@@](O)(C(=O)N(C)CCCC2CCN(c3ccc(C(=O)N(C)C)c(C)n3)CC2)C(F)(F)F)c1
• InChI: InChI=1S/C28H37F3N4O4/c1-19-23(25(36)33(2)3)11-12-24(32-19)35-16-13-20(14-17-35)8-7-15-34(4)26(37)27(38,28(29,30)31)21-9-6-10-22(18-21)39-5/h6,9-12,18,20,38H,7-8,13-17H2,1-5H3/t27-/m1/s1
• InChIKey: LTMOUOYTRUUDIE-HHHXNRCGSA-N
• XLogP: 4.01
• TPSA: 86.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.62
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N,N,2-trimethyl-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide (CID 142321308) is N,N,2-trimethyl-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N,N,2-trimethyl-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N,N,2-trimethyl-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide is COc1cccc([C@@](O)(C(=O)N(C)CCCC2CCN(c3ccc(C(=O)N(C)C)c(C)n3)CC2)C(F)(F)F)c1.

What is the InChIKey of N,N,2-trimethyl-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide?

The InChIKey is LTMOUOYTRUUDIE-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H37F3N4O4/c1-19-23(25(36)33(2)3)11-12-24(32-19)35-16-13-20(14-17-35)8-7-15-34(4)26(37)27(38,28(29,30)31)21-9-6-10-22(18-21)39-5/h6,9-12,18,20,38H,7-8,13-17H2,1-5H3/t27-/m1/s1.

What are the key properties of N,N,2-trimethyl-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide?

N,N,2-trimethyl-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 550.62 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,2-trimethyl-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 142321308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).