6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide

C26H28N4O4 — CID 170263274

About 6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide

6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 170263274) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 170263274
• Molecular Formula: C26H28N4O4
• Molecular Weight: 460.53 g/mol
• Exact Mass: 460.21
• IUPAC Name: 6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
• SMILES: Cc1ccc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)[nH]c2c1
• InChI: InChI=1S/C26H28N4O4/c1-16-7-8-18-14-23(29-21(18)11-16)26(34)30-22(12-17-5-3-2-4-6-17)25(33)28-20(15-31)13-19-9-10-27-24(19)32/h2-8,11,14-15,19-20,22,29H,9-10,12-13H2,1H3,(H,27,32)(H,28,33)(H,30,34)/t19-,20-,22-/m0/s1
• InChIKey: NZPZSACSYKRVCN-ONTIZHBOSA-N
• XLogP: 2.03
• TPSA: 120.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.53
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?

The IUPAC name of 6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide (CID 170263274) is 6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)[nH]c2c1.

What is the InChIKey of 6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?

The InChIKey is NZPZSACSYKRVCN-ONTIZHBOSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-16-7-8-18-14-23(29-21(18)11-16)26(34)30-22(12-17-5-3-2-4-6-17)25(33)28-20(15-31)13-19-9-10-27-24(19)32/h2-8,11,14-15,19-20,22,29H,9-10,12-13H2,1H3,(H,27,32)(H,28,33)(H,30,34)/t19-,20-,22-/m0/s1.

What are the key properties of 6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?

6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 2.03, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 170263274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).