5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide

C26H37N5O3 — CID 3307273

About 5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide

5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide (PubChem CID 3307273) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is 5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide
• PubChem CID: 3307273
• Molecular Formula: C26H37N5O3
• Molecular Weight: 467.61 g/mol
• Exact Mass: 467.29
• IUPAC Name: 5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide
• SMILES: Cc1cnc(C(=O)N(CCCN2CCOCC2)CCC(=O)NC(C)CCc2ccccc2)cn1
• InChI: InChI=1S/C26H37N5O3/c1-21(9-10-23-7-4-3-5-8-23)29-25(32)11-14-31(13-6-12-30-15-17-34-18-16-30)26(33)24-20-27-22(2)19-28-24/h3-5,7-8,19-21H,6,9-18H2,1-2H3,(H,29,32)
• InChIKey: RUJHOBJVBHAXHK-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.61
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide?

The IUPAC name of 5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide (CID 3307273) is 5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide.

What is the SMILES notation for 5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide?

The canonical SMILES for 5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCCN2CCOCC2)CCC(=O)NC(C)CCc2ccccc2)cn1.

What is the InChIKey of 5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide?

The InChIKey is RUJHOBJVBHAXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O3/c1-21(9-10-23-7-4-3-5-8-23)29-25(32)11-14-31(13-6-12-30-15-17-34-18-16-30)26(33)24-20-27-22(2)19-28-24/h3-5,7-8,19-21H,6,9-18H2,1-2H3,(H,29,32).

What are the key properties of 5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide?

5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 467.61 g/mol, XLogP of 2.48, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 3307273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).