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

C30H37F3N4O4 — CID 123152301

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 123152301) 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-(3,3,3-trifluoro-2,2-dimethylpropanoyl)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-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]ethyl]indole-3-carboxamide
• PubChem CID: 123152301
• 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-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]ethyl]indole-3-carboxamide
• SMILES: COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)c2ccccc12
• InChI: InChI=1S/C30H37F3N4O4/c1-17-15-24(41-6)22(26(38)35-17)16-34-27(39)25-19(3)37(23-10-8-7-9-21(23)25)18(2)20-11-13-36(14-12-20)28(40)29(4,5)30(31,32)33/h7-10,15,18,20H,11-14,16H2,1-6H3,(H,34,39)(H,35,38)
• InChIKey: MFQKZMSHZKUFOQ-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 96.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.64
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-(3,3,3-trifluoro-2,2-dimethylpropanoyl)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-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]ethyl]indole-3-carboxamide (CID 123152301) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)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-(3,3,3-trifluoro-2,2-dimethylpropanoyl)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-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]ethyl]indole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)c2ccccc12.

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

The InChIKey is MFQKZMSHZKUFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F3N4O4/c1-17-15-24(41-6)22(26(38)35-17)16-34-27(39)25-19(3)37(23-10-8-7-9-21(23)25)18(2)20-11-13-36(14-12-20)28(40)29(4,5)30(31,32)33/h7-10,15,18,20H,11-14,16H2,1-6H3,(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-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]ethyl]indole-3-carboxamide?

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]ethyl]indole-3-carboxamide has a molecular weight of 574.64 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 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-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 123152301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).