2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(pyridin-2-ylmethyl)indol-3-yl]acetamide

C31H29N5O3 — CID 70145183

About 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(pyridin-2-ylmethyl)indol-3-yl]acetamide

2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(pyridin-2-ylmethyl)indol-3-yl]acetamide (PubChem CID 70145183) has the molecular formula C31H29N5O3 and a molecular weight of 519.61 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(pyridin-2-ylmethyl)indol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(pyridin-2-ylmethyl)indol-3-yl]acetamide
• PubChem CID: 70145183
• Molecular Formula: C31H29N5O3
• Molecular Weight: 519.61 g/mol
• Exact Mass: 519.23
• IUPAC Name: 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(pyridin-2-ylmethyl)indol-3-yl]acetamide
• SMILES: Cc1ccc(NC(=O)NC2(C(C(N)=O)c3ccc(C)cc3)C(=O)N(Cc3ccccn3)c3ccccc32)cc1
• InChI: InChI=1S/C31H29N5O3/c1-20-10-14-22(15-11-20)27(28(32)37)31(35-30(39)34-23-16-12-21(2)13-17-23)25-8-3-4-9-26(25)36(29(31)38)19-24-7-5-6-18-33-24/h3-18,27H,19H2,1-2H3,(H2,32,37)(H2,34,35,39)
• InChIKey: LXNPIWGZPOWGED-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 117.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.61
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(pyridin-2-ylmethyl)indol-3-yl]acetamide?

The IUPAC name of 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(pyridin-2-ylmethyl)indol-3-yl]acetamide (CID 70145183) is 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(pyridin-2-ylmethyl)indol-3-yl]acetamide.

What is the SMILES notation for 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(pyridin-2-ylmethyl)indol-3-yl]acetamide?

The canonical SMILES for 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(pyridin-2-ylmethyl)indol-3-yl]acetamide is Cc1ccc(NC(=O)NC2(C(C(N)=O)c3ccc(C)cc3)C(=O)N(Cc3ccccn3)c3ccccc32)cc1.

What is the InChIKey of 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(pyridin-2-ylmethyl)indol-3-yl]acetamide?

The InChIKey is LXNPIWGZPOWGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O3/c1-20-10-14-22(15-11-20)27(28(32)37)31(35-30(39)34-23-16-12-21(2)13-17-23)25-8-3-4-9-26(25)36(29(31)38)19-24-7-5-6-18-33-24/h3-18,27H,19H2,1-2H3,(H2,32,37)(H2,34,35,39).

What are the key properties of 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(pyridin-2-ylmethyl)indol-3-yl]acetamide?

2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(pyridin-2-ylmethyl)indol-3-yl]acetamide has a molecular weight of 519.61 g/mol, XLogP of 4.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(pyridin-2-ylmethyl)indol-3-yl]acetamide is sourced from PubChem (CID 70145183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).