N-[3-(4-tert-butylphenyl)-4-(pyridin-3-ylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide

C32H32N4O — CID 53385206

About N-[3-(4-tert-butylphenyl)-4-(pyridin-3-ylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide

N-[3-(4-tert-butylphenyl)-4-(pyridin-3-ylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 53385206) has the molecular formula C32H32N4O and a molecular weight of 488.64 g/mol. Its IUPAC name is N-[3-(4-tert-butylphenyl)-4-(pyridin-3-ylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-(4-tert-butylphenyl)-4-(pyridin-3-ylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
• PubChem CID: 53385206
• Molecular Formula: C32H32N4O
• Molecular Weight: 488.64 g/mol
• Exact Mass: 488.26
• IUPAC Name: N-[3-(4-tert-butylphenyl)-4-(pyridin-3-ylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
• SMILES: Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(Nc2cccnc2)c(-c2ccc(C(C)(C)C)cc2)c1
• InChI: InChI=1S/C32H32N4O/c1-21-27(26-9-5-6-10-29(26)34-21)19-31(37)36-24-15-16-30(35-25-8-7-17-33-20-25)28(18-24)22-11-13-23(14-12-22)32(2,3)4/h5-18,20,34-35H,19H2,1-4H3,(H,36,37)
• InChIKey: VFALCMOODWGMRM-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 69.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.64
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylphenyl)-4-(pyridin-3-ylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide?

The IUPAC name of N-[3-(4-tert-butylphenyl)-4-(pyridin-3-ylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide (CID 53385206) is N-[3-(4-tert-butylphenyl)-4-(pyridin-3-ylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide.

What is the SMILES notation for N-[3-(4-tert-butylphenyl)-4-(pyridin-3-ylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide?

The canonical SMILES for N-[3-(4-tert-butylphenyl)-4-(pyridin-3-ylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(Nc2cccnc2)c(-c2ccc(C(C)(C)C)cc2)c1.

What is the InChIKey of N-[3-(4-tert-butylphenyl)-4-(pyridin-3-ylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide?

The InChIKey is VFALCMOODWGMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O/c1-21-27(26-9-5-6-10-29(26)34-21)19-31(37)36-24-15-16-30(35-25-8-7-17-33-20-25)28(18-24)22-11-13-23(14-12-22)32(2,3)4/h5-18,20,34-35H,19H2,1-4H3,(H,36,37).

What are the key properties of N-[3-(4-tert-butylphenyl)-4-(pyridin-3-ylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide?

N-[3-(4-tert-butylphenyl)-4-(pyridin-3-ylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 488.64 g/mol, XLogP of 7.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-tert-butylphenyl)-4-(pyridin-3-ylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 53385206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).