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

C30H35F3N4O4 — CID 123209760

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 123209760) has the molecular formula C30H35F3N4O4 and a molecular weight of 572.63 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]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-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]ethyl]indole-3-carboxamide
• PubChem CID: 123209760
• Molecular Formula: C30H35F3N4O4
• Molecular Weight: 572.63 g/mol
• Exact Mass: 572.26
• IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]ethyl]indole-3-carboxamide
• SMILES: COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)c2ccccc12
• InChI: InChI=1S/C30H35F3N4O4/c1-17-15-24(41-4)22(26(38)35-17)16-34-27(39)25-19(3)37(23-8-6-5-7-21(23)25)18(2)20-9-13-36(14-10-20)28(40)29(11-12-29)30(31,32)33/h5-8,15,18,20H,9-14,16H2,1-4H3,(H,34,39)(H,35,38)
• InChIKey: BUCNOZYJRVPASS-UHFFFAOYSA-N
• XLogP: 5.03
• 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	572.63
LogP ≤ 5	5.03
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-[1-(trifluoromethyl)cyclopropanecarbonyl]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-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]ethyl]indole-3-carboxamide (CID 123209760) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]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-[1-(trifluoromethyl)cyclopropanecarbonyl]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-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]ethyl]indole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)c2ccccc12.

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

The InChIKey is BUCNOZYJRVPASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F3N4O4/c1-17-15-24(41-4)22(26(38)35-17)16-34-27(39)25-19(3)37(23-8-6-5-7-21(23)25)18(2)20-9-13-36(14-10-20)28(40)29(11-12-29)30(31,32)33/h5-8,15,18,20H,9-14,16H2,1-4H3,(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-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]ethyl]indole-3-carboxamide?

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]ethyl]indole-3-carboxamide has a molecular weight of 572.63 g/mol, XLogP of 5.03, 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-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 123209760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).