2-methoxy-N,N-dimethyl-6-[3-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]azetidin-1-yl]pyridine-3-carboxamide

C28H35F3N4O5 — CID 137355238

About 2-methoxy-N,N-dimethyl-6-[3-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]azetidin-1-yl]pyridine-3-carboxamide

2-methoxy-N,N-dimethyl-6-[3-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]azetidin-1-yl]pyridine-3-carboxamide (PubChem CID 137355238) has the molecular formula C28H35F3N4O5 and a molecular weight of 564.61 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-6-[3-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]azetidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methoxy-N,N-dimethyl-6-[3-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]azetidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 137355238
• Molecular Formula: C28H35F3N4O5
• Molecular Weight: 564.61 g/mol
• Exact Mass: 564.26
• IUPAC Name: 2-methoxy-N,N-dimethyl-6-[3-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]azetidin-1-yl]pyridine-3-carboxamide
• SMILES: COc1cccc([C@@](O)(C(=O)N2CCC(CC3CN(c4ccc(C(=O)N(C)C)c(OC)n4)C3)CC2)C(F)(F)F)c1
• InChI: InChI=1S/C28H35F3N4O5/c1-33(2)25(36)22-8-9-23(32-24(22)40-4)35-16-19(17-35)14-18-10-12-34(13-11-18)26(37)27(38,28(29,30)31)20-6-5-7-21(15-20)39-3/h5-9,15,18-19,38H,10-14,16-17H2,1-4H3/t27-/m1/s1
• InChIKey: AXBXDRNLVIRSSG-HHHXNRCGSA-N
• XLogP: 3.32
• TPSA: 95.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.61
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-methoxy-N,N-dimethyl-6-[3-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]azetidin-1-yl]pyridine-3-carboxamide (CID 137355238) is 2-methoxy-N,N-dimethyl-6-[3-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]azetidin-1-yl]pyridine-3-carboxamide.

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

The canonical SMILES for 2-methoxy-N,N-dimethyl-6-[3-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]azetidin-1-yl]pyridine-3-carboxamide is COc1cccc([C@@](O)(C(=O)N2CCC(CC3CN(c4ccc(C(=O)N(C)C)c(OC)n4)C3)CC2)C(F)(F)F)c1.

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

The InChIKey is AXBXDRNLVIRSSG-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H35F3N4O5/c1-33(2)25(36)22-8-9-23(32-24(22)40-4)35-16-19(17-35)14-18-10-12-34(13-11-18)26(37)27(38,28(29,30)31)20-6-5-7-21(15-20)39-3/h5-9,15,18-19,38H,10-14,16-17H2,1-4H3/t27-/m1/s1.

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

2-methoxy-N,N-dimethyl-6-[3-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]azetidin-1-yl]pyridine-3-carboxamide has a molecular weight of 564.61 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N,N-dimethyl-6-[3-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]azetidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 137355238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).