N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide

C23H33N7O6 — CID 143359859

About N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide

N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 143359859) has the molecular formula C23H33N7O6 and a molecular weight of 503.56 g/mol. Its IUPAC name is N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide
• PubChem CID: 143359859
• Molecular Formula: C23H33N7O6
• Molecular Weight: 503.56 g/mol
• Exact Mass: 503.25
• IUPAC Name: N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide
• SMILES: NC(=O)C(O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)c1cnccn1)C1CCCCC1
• InChI: InChI=1S/C23H33N7O6/c24-20(33)17(31)12-27-22(35)16-7-4-10-30(16)18(32)13-28-23(36)19(14-5-2-1-3-6-14)29-21(34)15-11-25-8-9-26-15/h8-9,11,14,16-17,19,31H,1-7,10,12-13H2,(H2,24,33)(H,27,35)(H,28,36)(H,29,34)
• InChIKey: SNLVTNXVDGLIFC-UHFFFAOYSA-N
• XLogP: -1.78
• TPSA: 196.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.56
LogP ≤ 5	-1.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide?

The IUPAC name of N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide (CID 143359859) is N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide?

The canonical SMILES for N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide is NC(=O)C(O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)c1cnccn1)C1CCCCC1.

What is the InChIKey of N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide?

The InChIKey is SNLVTNXVDGLIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O6/c24-20(33)17(31)12-27-22(35)16-7-4-10-30(16)18(32)13-28-23(36)19(14-5-2-1-3-6-14)29-21(34)15-11-25-8-9-26-15/h8-9,11,14,16-17,19,31H,1-7,10,12-13H2,(H2,24,33)(H,27,35)(H,28,36)(H,29,34).

What are the key properties of N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide?

N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 503.56 g/mol, XLogP of -1.78, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 143359859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).