N-[(1R)-6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

C29H31F3N6O2 — CID 56942149

About N-[(1R)-6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

N-[(1R)-6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 56942149) has the molecular formula C29H31F3N6O2 and a molecular weight of 552.60 g/mol. Its IUPAC name is N-[(1R)-6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 56942149
• Molecular Formula: C29H31F3N6O2
• Molecular Weight: 552.60 g/mol
• Exact Mass: 552.25
• IUPAC Name: N-[(1R)-6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)c3cccnc3C(F)(F)F)CC4)CC2)nc(C)n1
• InChI: InChI=1S/C29H31F3N6O2/c1-17-15-25(35-18(2)34-17)38-13-10-21(11-14-38)37(3)28(40)20-7-6-19-8-9-24(23(19)16-20)36-27(39)22-5-4-12-33-26(22)29(30,31)32/h4-7,12,15-16,21,24H,8-11,13-14H2,1-3H3,(H,36,39)/t24-/m1/s1
• InChIKey: CCNGAIDYHZOPHN-XMMPIXPASA-N
• XLogP: 4.67
• TPSA: 91.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.60
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of N-[(1R)-6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 56942149) is N-[(1R)-6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(1R)-6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for N-[(1R)-6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)c3cccnc3C(F)(F)F)CC4)CC2)nc(C)n1.

What is the InChIKey of N-[(1R)-6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is CCNGAIDYHZOPHN-XMMPIXPASA-N. The full InChI is InChI=1S/C29H31F3N6O2/c1-17-15-25(35-18(2)34-17)38-13-10-21(11-14-38)37(3)28(40)20-7-6-19-8-9-24(23(19)16-20)36-27(39)22-5-4-12-33-26(22)29(30,31)32/h4-7,12,15-16,21,24H,8-11,13-14H2,1-3H3,(H,36,39)/t24-/m1/s1.

What are the key properties of N-[(1R)-6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?

N-[(1R)-6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 552.60 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 56942149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).