1-[2-[2-(methylamino)propanoylamino]pent-4-ynoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide

C24H32N4O3 — CID 87173153

About 1-[2-[2-(methylamino)propanoylamino]pent-4-ynoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide

1-[2-[2-(methylamino)propanoylamino]pent-4-ynoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide (PubChem CID 87173153) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[2-[2-(methylamino)propanoylamino]pent-4-ynoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[2-(methylamino)propanoylamino]pent-4-ynoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
• PubChem CID: 87173153
• Molecular Formula: C24H32N4O3
• Molecular Weight: 424.55 g/mol
• Exact Mass: 424.25
• IUPAC Name: 1-[2-[2-(methylamino)propanoylamino]pent-4-ynoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
• SMILES: C#CCC(NC(=O)C(C)NC)C(=O)N1CCCC1C(=O)N[C@@H]1CCCc2ccccc21
• InChI: InChI=1S/C24H32N4O3/c1-4-9-20(27-22(29)16(2)25-3)24(31)28-15-8-14-21(28)23(30)26-19-13-7-11-17-10-5-6-12-18(17)19/h1,5-6,10,12,16,19-21,25H,7-9,11,13-15H2,2-3H3,(H,26,30)(H,27,29)/t16?,19-,20?,21?/m1/s1
• InChIKey: OUAZCOHWLBVWKG-YZVUMYRFSA-N
• XLogP: 1.29
• TPSA: 90.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.55
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(methylamino)propanoylamino]pent-4-ynoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-[2-[2-(methylamino)propanoylamino]pent-4-ynoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide (CID 87173153) is 1-[2-[2-(methylamino)propanoylamino]pent-4-ynoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[2-[2-(methylamino)propanoylamino]pent-4-ynoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-[2-[2-(methylamino)propanoylamino]pent-4-ynoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide is C#CCC(NC(=O)C(C)NC)C(=O)N1CCCC1C(=O)N[C@@H]1CCCc2ccccc21.

What is the InChIKey of 1-[2-[2-(methylamino)propanoylamino]pent-4-ynoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide?

The InChIKey is OUAZCOHWLBVWKG-YZVUMYRFSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-4-9-20(27-22(29)16(2)25-3)24(31)28-15-8-14-21(28)23(30)26-19-13-7-11-17-10-5-6-12-18(17)19/h1,5-6,10,12,16,19-21,25H,7-9,11,13-15H2,2-3H3,(H,26,30)(H,27,29)/t16?,19-,20?,21?/m1/s1.

What are the key properties of 1-[2-[2-(methylamino)propanoylamino]pent-4-ynoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide?

1-[2-[2-(methylamino)propanoylamino]pent-4-ynoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-(methylamino)propanoylamino]pent-4-ynoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 87173153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).