N-(3,4-difluorophenyl)-N-ethyl-4-[[(1S,2R)-2-hydroxycyclopentyl]-methylamino]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide

C26H31F5N4O2 — CID 176826402

About N-(3,4-difluorophenyl)-N-ethyl-4-[[(1S,2R)-2-hydroxycyclopentyl]-methylamino]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide

N-(3,4-difluorophenyl)-N-ethyl-4-[[(1S,2R)-2-hydroxycyclopentyl]-methylamino]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 176826402) has the molecular formula C26H31F5N4O2 and a molecular weight of 526.55 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-ethyl-4-[[(1S,2R)-2-hydroxycyclopentyl]-methylamino]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(3,4-difluorophenyl)-N-ethyl-4-[[(1S,2R)-2-hydroxycyclopentyl]-methylamino]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
• PubChem CID: 176826402
• Molecular Formula: C26H31F5N4O2
• Molecular Weight: 526.55 g/mol
• Exact Mass: 526.24
• IUPAC Name: N-(3,4-difluorophenyl)-N-ethyl-4-[[(1S,2R)-2-hydroxycyclopentyl]-methylamino]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
• SMILES: CCN(C(=O)C1CC(N(C)[C@H]2CCC[C@H]2O)CN1c1cc(C(F)(F)F)cc(C)n1)c1ccc(F)c(F)c1
• InChI: InChI=1S/C26H31F5N4O2/c1-4-34(17-8-9-19(27)20(28)12-17)25(37)22-13-18(33(3)21-6-5-7-23(21)36)14-35(22)24-11-16(26(29,30)31)10-15(2)32-24/h8-12,18,21-23,36H,4-7,13-14H2,1-3H3/t18?,21-,22?,23+/m0/s1
• InChIKey: RZMRISGWESTEBG-LWZIIBGRSA-N
• XLogP: 4.53
• TPSA: 59.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.55
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-ethyl-4-[[(1S,2R)-2-hydroxycyclopentyl]-methylamino]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?

The IUPAC name of N-(3,4-difluorophenyl)-N-ethyl-4-[[(1S,2R)-2-hydroxycyclopentyl]-methylamino]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide (CID 176826402) is N-(3,4-difluorophenyl)-N-ethyl-4-[[(1S,2R)-2-hydroxycyclopentyl]-methylamino]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for N-(3,4-difluorophenyl)-N-ethyl-4-[[(1S,2R)-2-hydroxycyclopentyl]-methylamino]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?

The canonical SMILES for N-(3,4-difluorophenyl)-N-ethyl-4-[[(1S,2R)-2-hydroxycyclopentyl]-methylamino]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide is CCN(C(=O)C1CC(N(C)[C@H]2CCC[C@H]2O)CN1c1cc(C(F)(F)F)cc(C)n1)c1ccc(F)c(F)c1.

What is the InChIKey of N-(3,4-difluorophenyl)-N-ethyl-4-[[(1S,2R)-2-hydroxycyclopentyl]-methylamino]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?

The InChIKey is RZMRISGWESTEBG-LWZIIBGRSA-N. The full InChI is InChI=1S/C26H31F5N4O2/c1-4-34(17-8-9-19(27)20(28)12-17)25(37)22-13-18(33(3)21-6-5-7-23(21)36)14-35(22)24-11-16(26(29,30)31)10-15(2)32-24/h8-12,18,21-23,36H,4-7,13-14H2,1-3H3/t18?,21-,22?,23+/m0/s1.

What are the key properties of N-(3,4-difluorophenyl)-N-ethyl-4-[[(1S,2R)-2-hydroxycyclopentyl]-methylamino]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?

N-(3,4-difluorophenyl)-N-ethyl-4-[[(1S,2R)-2-hydroxycyclopentyl]-methylamino]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 526.55 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-difluorophenyl)-N-ethyl-4-[[(1S,2R)-2-hydroxycyclopentyl]-methylamino]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 176826402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).