3-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid

C24H22F3N3O3 — CID 68606145

About 3-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid

3-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid (PubChem CID 68606145) has the molecular formula C24H22F3N3O3 and a molecular weight of 457.45 g/mol. Its IUPAC name is 3-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid
• PubChem CID: 68606145
• Molecular Formula: C24H22F3N3O3
• Molecular Weight: 457.45 g/mol
• Exact Mass: 457.16
• IUPAC Name: 3-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid
• SMILES: NC(=O)c1cccc(-c2ccc(CNC3Cc4ccccc4C3)cn2)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H21N3O.C2HF3O2/c23-22(26)19-7-3-6-18(10-19)21-9-8-15(14-25-21)13-24-20-11-16-4-1-2-5-17(16)12-20;3-2(4,5)1(6)7/h1-10,14,20,24H,11-13H2,(H2,23,26);(H,6,7)
• InChIKey: GLMDIIYNECZZKG-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 105.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.45
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 3-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid (CID 68606145) is 3-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid is NC(=O)c1cccc(-c2ccc(CNC3Cc4ccccc4C3)cn2)c1.O=C(O)C(F)(F)F.

What is the InChIKey of 3-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid?

The InChIKey is GLMDIIYNECZZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O.C2HF3O2/c23-22(26)19-7-3-6-18(10-19)21-9-8-15(14-25-21)13-24-20-11-16-4-1-2-5-17(16)12-20;3-2(4,5)1(6)7/h1-10,14,20,24H,11-13H2,(H2,23,26);(H,6,7).

What are the key properties of 3-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid?

3-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 457.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-pyridinyl]benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68606145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).