5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C25H22F3N5O3 — CID 155438171

About 5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155438171) has the molecular formula C25H22F3N5O3 and a molecular weight of 497.48 g/mol. Its IUPAC name is 5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155438171
• Molecular Formula: C25H22F3N5O3
• Molecular Weight: 497.48 g/mol
• Exact Mass: 497.17
• IUPAC Name: 5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1cncc(C(=O)Nc2cccc(C(C)Nc3cnc4ccccc4n3)c2)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H21N5O.C2HF3O2/c1-15-10-18(13-24-12-15)23(29)27-19-7-5-6-17(11-19)16(2)26-22-14-25-20-8-3-4-9-21(20)28-22;3-2(4,5)1(6)7/h3-14,16H,1-2H3,(H,26,28)(H,27,29);(H,6,7)
• InChIKey: YRXANUJJKCLTPK-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 117.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.48
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 155438171) is 5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1cncc(C(=O)Nc2cccc(C(C)Nc3cnc4ccccc4n3)c2)c1.O=C(O)C(F)(F)F.

What is the InChIKey of 5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is YRXANUJJKCLTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O.C2HF3O2/c1-15-10-18(13-24-12-15)23(29)27-19-7-5-6-17(11-19)16(2)26-22-14-25-20-8-3-4-9-21(20)28-22;3-2(4,5)1(6)7/h3-14,16H,1-2H3,(H,26,28)(H,27,29);(H,6,7).

What are the key properties of 5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 497.48 g/mol, XLogP of 5.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155438171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).