N-[[4-(2,2-difluoroethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide

C28H35F3N4O2 — CID 163845280

About N-[[4-(2,2-difluoroethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide

N-[[4-(2,2-difluoroethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide (PubChem CID 163845280) has the molecular formula C28H35F3N4O2 and a molecular weight of 516.61 g/mol. Its IUPAC name is N-[[4-(2,2-difluoroethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(2,2-difluoroethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide
• PubChem CID: 163845280
• Molecular Formula: C28H35F3N4O2
• Molecular Weight: 516.61 g/mol
• Exact Mass: 516.27
• IUPAC Name: N-[[4-(2,2-difluoroethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide
• SMILES: Cc1cc(CC(F)F)c(CNC(=O)c2c(C)n(C(C)C3CCN(CCF)CC3)c3ccccc23)c(=O)[nH]1
• InChI: InChI=1S/C28H35F3N4O2/c1-17-14-21(15-25(30)31)23(27(36)33-17)16-32-28(37)26-19(3)35(24-7-5-4-6-22(24)26)18(2)20-8-11-34(12-9-20)13-10-29/h4-7,14,18,20,25H,8-13,15-16H2,1-3H3,(H,32,37)(H,33,36)
• InChIKey: OPPKCGWMJUZRGA-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 70.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.61
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2-difluoroethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide?

The IUPAC name of N-[[4-(2,2-difluoroethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide (CID 163845280) is N-[[4-(2,2-difluoroethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide.

What is the SMILES notation for N-[[4-(2,2-difluoroethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide?

The canonical SMILES for N-[[4-(2,2-difluoroethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide is Cc1cc(CC(F)F)c(CNC(=O)c2c(C)n(C(C)C3CCN(CCF)CC3)c3ccccc23)c(=O)[nH]1.

What is the InChIKey of N-[[4-(2,2-difluoroethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide?

The InChIKey is OPPKCGWMJUZRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F3N4O2/c1-17-14-21(15-25(30)31)23(27(36)33-17)16-32-28(37)26-19(3)35(24-7-5-4-6-22(24)26)18(2)20-8-11-34(12-9-20)13-10-29/h4-7,14,18,20,25H,8-13,15-16H2,1-3H3,(H,32,37)(H,33,36).

What are the key properties of N-[[4-(2,2-difluoroethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide?

N-[[4-(2,2-difluoroethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide has a molecular weight of 516.61 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(2,2-difluoroethyl)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 163845280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).