N-[1-[[1-[2-[(1-chloro-2-oxopentan-3-yl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide

C32H43ClN6O6 — CID 5271850

About N-[1-[[1-[2-[(1-chloro-2-oxopentan-3-yl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide

N-[1-[[1-[2-[(1-chloro-2-oxopentan-3-yl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide (PubChem CID 5271850) has the molecular formula C32H43ClN6O6 and a molecular weight of 643.19 g/mol. Its IUPAC name is N-[1-[[1-[2-[(1-chloro-2-oxopentan-3-yl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-[2-[(1-chloro-2-oxopentan-3-yl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide
• PubChem CID: 5271850
• Molecular Formula: C32H43ClN6O6
• Molecular Weight: 643.19 g/mol
• Exact Mass: 642.29
• IUPAC Name: N-[1-[[1-[2-[(1-chloro-2-oxopentan-3-yl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide
• SMILES: CCC(NC(=O)C1CC(OCc2ccccc2)CN1C(=O)C(NC(=O)C(NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)CCl
• InChI: InChI=1S/C32H43ClN6O6/c1-6-23(26(40)15-33)36-30(42)25-14-22(45-18-21-10-8-7-9-11-21)17-39(25)32(44)28(20(4)5)38-31(43)27(19(2)3)37-29(41)24-16-34-12-13-35-24/h7-13,16,19-20,22-23,25,27-28H,6,14-15,17-18H2,1-5H3,(H,36,42)(H,37,41)(H,38,43)
• InChIKey: ASWVNWSWBNERFU-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 159.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	643.19
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[2-[(1-chloro-2-oxopentan-3-yl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[1-[[1-[2-[(1-chloro-2-oxopentan-3-yl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide (CID 5271850) is N-[1-[[1-[2-[(1-chloro-2-oxopentan-3-yl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[1-[[1-[2-[(1-chloro-2-oxopentan-3-yl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[1-[[1-[2-[(1-chloro-2-oxopentan-3-yl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide is CCC(NC(=O)C1CC(OCc2ccccc2)CN1C(=O)C(NC(=O)C(NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)CCl.

What is the InChIKey of N-[1-[[1-[2-[(1-chloro-2-oxopentan-3-yl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide?

The InChIKey is ASWVNWSWBNERFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43ClN6O6/c1-6-23(26(40)15-33)36-30(42)25-14-22(45-18-21-10-8-7-9-11-21)17-39(25)32(44)28(20(4)5)38-31(43)27(19(2)3)37-29(41)24-16-34-12-13-35-24/h7-13,16,19-20,22-23,25,27-28H,6,14-15,17-18H2,1-5H3,(H,36,42)(H,37,41)(H,38,43).

What are the key properties of N-[1-[[1-[2-[(1-chloro-2-oxopentan-3-yl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide?

N-[1-[[1-[2-[(1-chloro-2-oxopentan-3-yl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide has a molecular weight of 643.19 g/mol, XLogP of 2.26, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-[2-[(1-chloro-2-oxopentan-3-yl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 5271850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).