6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide

C23H18F6N4O3 — CID 118195308

About 6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide

6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 118195308) has the molecular formula C23H18F6N4O3 and a molecular weight of 512.41 g/mol. Its IUPAC name is 6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
• PubChem CID: 118195308
• Molecular Formula: C23H18F6N4O3
• Molecular Weight: 512.41 g/mol
• Exact Mass: 512.13
• IUPAC Name: 6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCC(O)C2)c(-c2cncc(C(F)(F)F)c2)c1
• InChI: InChI=1S/C23H18F6N4O3/c24-22(25,26)15-7-13(9-30-11-15)19-8-14(10-31-20(19)33-6-5-17(34)12-33)21(35)32-16-1-3-18(4-2-16)36-23(27,28)29/h1-4,7-11,17,34H,5-6,12H2,(H,32,35)
• InChIKey: BKGVCQGJVMNNGN-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 87.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.41
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide?

The IUPAC name of 6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide (CID 118195308) is 6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide?

The canonical SMILES for 6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCC(O)C2)c(-c2cncc(C(F)(F)F)c2)c1.

What is the InChIKey of 6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide?

The InChIKey is BKGVCQGJVMNNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6N4O3/c24-22(25,26)15-7-13(9-30-11-15)19-8-14(10-31-20(19)33-6-5-17(34)12-33)21(35)32-16-1-3-18(4-2-16)36-23(27,28)29/h1-4,7-11,17,34H,5-6,12H2,(H,32,35).

What are the key properties of 6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide?

6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 512.41 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).