[3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] formate;2-(pyridin-2-ylcarbamoylamino)acetamide;toluene

C39H56N8O8 — CID 145149991

About [3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] formate;2-(pyridin-2-ylcarbamoylamino)acetamide;toluene

[3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] formate;2-(pyridin-2-ylcarbamoylamino)acetamide;toluene (PubChem CID 145149991) has the molecular formula C39H56N8O8 and a molecular weight of 764.93 g/mol. Its IUPAC name is [3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] formate;2-(pyridin-2-ylcarbamoylamino)acetamide;toluene.

Molecular Properties

• Compound Name: [3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] formate;2-(pyridin-2-ylcarbamoylamino)acetamide;toluene
• PubChem CID: 145149991
• Molecular Formula: C39H56N8O8
• Molecular Weight: 764.93 g/mol
• Exact Mass: 764.42
• IUPAC Name: [3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] formate;2-(pyridin-2-ylcarbamoylamino)acetamide;toluene
• SMILES: CC(NC(=O)C1CCCCN1C(=O)C1CCCN1C(=O)CCOC=O)C(=O)N1C[C@H](C)CC1C.Cc1ccccc1.NC(=O)CNC(=O)Nc1ccccn1
• InChI: InChI=1S/C24H38N4O6.C8H10N4O2.C7H8/c1-16-13-17(2)28(14-16)23(32)18(3)25-22(31)19-7-4-5-10-27(19)24(33)20-8-6-11-26(20)21(30)9-12-34-15-29;9-6(13)5-11-8(14)12-7-3-1-2-4-10-7;1-7-5-3-2-4-6-7/h15-20H,4-14H2,1-3H3,(H,25,31);1-4H,5H2,(H2,9,13)(H2,10,11,12,14);2-6H,1H3/t16-,17?,18?,19?,20?;;/m1../s1
• InChIKey: DZEDLQJZSOCKIJ-CVCSOYNQSA-N
• XLogP: 2.37
• TPSA: 213.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	764.93
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] formate;2-(pyridin-2-ylcarbamoylamino)acetamide;toluene?

The IUPAC name of [3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] formate;2-(pyridin-2-ylcarbamoylamino)acetamide;toluene (CID 145149991) is [3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] formate;2-(pyridin-2-ylcarbamoylamino)acetamide;toluene.

What is the SMILES notation for [3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] formate;2-(pyridin-2-ylcarbamoylamino)acetamide;toluene?

The canonical SMILES for [3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] formate;2-(pyridin-2-ylcarbamoylamino)acetamide;toluene is CC(NC(=O)C1CCCCN1C(=O)C1CCCN1C(=O)CCOC=O)C(=O)N1C[C@H](C)CC1C.Cc1ccccc1.NC(=O)CNC(=O)Nc1ccccn1.

What is the InChIKey of [3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] formate;2-(pyridin-2-ylcarbamoylamino)acetamide;toluene?

The InChIKey is DZEDLQJZSOCKIJ-CVCSOYNQSA-N. The full InChI is InChI=1S/C24H38N4O6.C8H10N4O2.C7H8/c1-16-13-17(2)28(14-16)23(32)18(3)25-22(31)19-7-4-5-10-27(19)24(33)20-8-6-11-26(20)21(30)9-12-34-15-29;9-6(13)5-11-8(14)12-7-3-1-2-4-10-7;1-7-5-3-2-4-6-7/h15-20H,4-14H2,1-3H3,(H,25,31);1-4H,5H2,(H2,9,13)(H2,10,11,12,14);2-6H,1H3/t16-,17?,18?,19?,20?;;/m1../s1.

What are the key properties of [3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] formate;2-(pyridin-2-ylcarbamoylamino)acetamide;toluene?

[3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] formate;2-(pyridin-2-ylcarbamoylamino)acetamide;toluene has a molecular weight of 764.93 g/mol, XLogP of 2.37, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropyl] formate;2-(pyridin-2-ylcarbamoylamino)acetamide;toluene is sourced from PubChem (CID 145149991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).