benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane

C32H37N7O5 — CID 156743329

About benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane

benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane (PubChem CID 156743329) has the molecular formula C32H37N7O5 and a molecular weight of 599.69 g/mol. Its IUPAC name is benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane.

Molecular Properties

• Compound Name: benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane
• PubChem CID: 156743329
• Molecular Formula: C32H37N7O5
• Molecular Weight: 599.69 g/mol
• Exact Mass: 599.29
• IUPAC Name: benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane
• SMILES: CC.Nc1ncc(-c2cccc(OCCNC(=O)OCc3ccccc3)c2)nc1C(=O)Nc1cnccc1N1CCOCC1
• InChI: InChI=1S/C30H31N7O5.C2H6/c31-28-27(29(38)36-25-18-32-10-9-26(25)37-12-15-40-16-13-37)35-24(19-34-28)22-7-4-8-23(17-22)41-14-11-33-30(39)42-20-21-5-2-1-3-6-21;1-2/h1-10,17-19H,11-16,20H2,(H2,31,34)(H,33,39)(H,36,38);1-2H3
• InChIKey: OMTRWBWCZUSNQF-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 153.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.69
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane?

The IUPAC name of benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane (CID 156743329) is benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane.

What is the SMILES notation for benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane?

The canonical SMILES for benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane is CC.Nc1ncc(-c2cccc(OCCNC(=O)OCc3ccccc3)c2)nc1C(=O)Nc1cnccc1N1CCOCC1.

What is the InChIKey of benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane?

The InChIKey is OMTRWBWCZUSNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O5.C2H6/c31-28-27(29(38)36-25-18-32-10-9-26(25)37-12-15-40-16-13-37)35-24(19-34-28)22-7-4-8-23(17-22)41-14-11-33-30(39)42-20-21-5-2-1-3-6-21;1-2/h1-10,17-19H,11-16,20H2,(H2,31,34)(H,33,39)(H,36,38);1-2H3.

What are the key properties of benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane?

benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane has a molecular weight of 599.69 g/mol, XLogP of 4.54, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane is sourced from PubChem (CID 156743329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).