5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride

C30H30ClF7N4O2 — CID 143893082

About 5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride

5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 143893082) has the molecular formula C30H30ClF7N4O2 and a molecular weight of 647.04 g/mol. Its IUPAC name is 5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride
• PubChem CID: 143893082
• Molecular Formula: C30H30ClF7N4O2
• Molecular Weight: 647.04 g/mol
• Exact Mass: 646.19
• IUPAC Name: 5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride
• SMILES: Cc1cc(F)ccc1-c1cc(C2CCC(C(N)=O)N2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl
• InChI: InChI=1S/C30H29F7N4O2.ClH/c1-15-9-19(31)5-6-20(15)21-13-24(22-7-8-23(40-22)26(38)42)39-14-25(21)41(4)27(43)28(2,3)16-10-17(29(32,33)34)12-18(11-16)30(35,36)37;/h5-6,9-14,22-23,40H,7-8H2,1-4H3,(H2,38,42);1H
• InChIKey: YXSSVBUSTDBNDZ-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 88.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.04
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride?

The IUPAC name of 5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride (CID 143893082) is 5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride.

What is the SMILES notation for 5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride?

The canonical SMILES for 5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1cc(F)ccc1-c1cc(C2CCC(C(N)=O)N2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.

What is the InChIKey of 5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride?

The InChIKey is YXSSVBUSTDBNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F7N4O2.ClH/c1-15-9-19(31)5-6-20(15)21-13-24(22-7-8-23(40-22)26(38)42)39-14-25(21)41(4)27(43)28(2,3)16-10-17(29(32,33)34)12-18(11-16)30(35,36)37;/h5-6,9-14,22-23,40H,7-8H2,1-4H3,(H2,38,42);1H.

What are the key properties of 5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride?

5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 647.04 g/mol, XLogP of 6.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 143893082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).