N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide

C₂₈H₂₄F₃N₅O₃ — CID 171681681

About N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide

N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide (PubChem CID 171681681) has the molecular formula C₂₈H₂₄F₃N₅O₃ and a molecular weight of 535.53 g/mol. Its IUPAC name is N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide
• PubChem CID: 171681681
• Molecular Formula: C₂₈H₂₄F₃N₅O₃
• Molecular Weight: 535.53 g/mol
• Exact Mass: 535.18
• IUPAC Name: N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide
• SMILES: O=C(Nc1ccc(C2CCN(C(=O)c3cccc(OCC(F)(F)F)n3)CC2)cc1)c1ccnc2ncccc12
• InChI: InChI=1S/C28H24F3N5O3/c29-28(30,31)17-39-24-5-1-4-23(35-24)27(38)36-15-11-19(12-16-36)18-6-8-20(9-7-18)34-26(37)22-10-14-33-25-21(22)3-2-13-32-25/h1-10,13-14,19H,11-12,15-17H2,(H,34,37)
• InChIKey: GCYVLWJVSZDVNX-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 97.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.53
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide?

The IUPAC name of N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide (CID 171681681) is N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide.

What is the SMILES notation for N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide?

The canonical SMILES for N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide is O=C(Nc1ccc(C2CCN(C(=O)c3cccc(OCC(F)(F)F)n3)CC2)cc1)c1ccnc2ncccc12.

What is the InChIKey of N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide?

The InChIKey is GCYVLWJVSZDVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O3/c29-28(30,31)17-39-24-5-1-4-23(35-24)27(38)36-15-11-19(12-16-36)18-6-8-20(9-7-18)34-26(37)22-10-14-33-25-21(22)3-2-13-32-25/h1-10,13-14,19H,11-12,15-17H2,(H,34,37).

What are the key properties of N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide?

N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide has a molecular weight of 535.53 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 171681681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171681681 — identifiers, structure, computed properties (public domain)

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