N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[3-(trifluoromethyl)oxetan-3-yl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide

C30H37F3N4O4 — CID 123526751

About N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[3-(trifluoromethyl)oxetan-3-yl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[3-(trifluoromethyl)oxetan-3-yl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 123526751) has the molecular formula C30H37F3N4O4 and a molecular weight of 574.64 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[3-(trifluoromethyl)oxetan-3-yl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[3-(trifluoromethyl)oxetan-3-yl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide
• PubChem CID: 123526751
• Molecular Formula: C30H37F3N4O4
• Molecular Weight: 574.64 g/mol
• Exact Mass: 574.28
• IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[3-(trifluoromethyl)oxetan-3-yl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide
• SMILES: COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(CC3(C(F)(F)F)COC3)CC2)c2ccccc12
• InChI: InChI=1S/C30H37F3N4O4/c1-18-13-25(40-4)23(27(38)35-18)14-34-28(39)26-20(3)37(24-8-6-5-7-22(24)26)19(2)21-9-11-36(12-10-21)15-29(16-41-17-29)30(31,32)33/h5-8,13,19,21H,9-12,14-17H2,1-4H3,(H,34,39)(H,35,38)
• InChIKey: VOMASBREMZGGME-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 88.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.64
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[3-(trifluoromethyl)oxetan-3-yl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide?

The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[3-(trifluoromethyl)oxetan-3-yl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide (CID 123526751) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[3-(trifluoromethyl)oxetan-3-yl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide.

What is the SMILES notation for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[3-(trifluoromethyl)oxetan-3-yl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide?

The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[3-(trifluoromethyl)oxetan-3-yl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(CC3(C(F)(F)F)COC3)CC2)c2ccccc12.

What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[3-(trifluoromethyl)oxetan-3-yl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide?

The InChIKey is VOMASBREMZGGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F3N4O4/c1-18-13-25(40-4)23(27(38)35-18)14-34-28(39)26-20(3)37(24-8-6-5-7-22(24)26)19(2)21-9-11-36(12-10-21)15-29(16-41-17-29)30(31,32)33/h5-8,13,19,21H,9-12,14-17H2,1-4H3,(H,34,39)(H,35,38).

What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[3-(trifluoromethyl)oxetan-3-yl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide?

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[3-(trifluoromethyl)oxetan-3-yl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide has a molecular weight of 574.64 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[3-(trifluoromethyl)oxetan-3-yl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 123526751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).