N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane

C39H67N7O6 — CID 144562780

About N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane

N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane (PubChem CID 144562780) has the molecular formula C39H67N7O6 and a molecular weight of 730.01 g/mol. Its IUPAC name is N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane.

Molecular Properties

• Compound Name: N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane
• PubChem CID: 144562780
• Molecular Formula: C39H67N7O6
• Molecular Weight: 730.01 g/mol
• Exact Mass: 729.52
• IUPAC Name: N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane
• SMILES: C1CCCCC1.CC.CCC.CCCC[C@H]1CCN(C(=O)C(NC(=O)CNC(=O)c2cnccn2)C(C)(C)C)C1C(=O)NCC(=O)C(=O)NC1CC1
• InChI: InChI=1S/C28H41N7O6.C6H12.C3H8.C2H6/c1-5-6-7-17-10-13-35(22(17)26(40)31-15-20(36)25(39)33-18-8-9-18)27(41)23(28(2,3)4)34-21(37)16-32-24(38)19-14-29-11-12-30-19;1-2-4-6-5-3-1;1-3-2;1-2/h11-12,14,17-18,22-23H,5-10,13,15-16H2,1-4H3,(H,31,40)(H,32,38)(H,33,39)(H,34,37);1-6H2;3H2,1-2H3;1-2H3/t17-,22?,23?;;;/m0.../s1
• InChIKey: GQQDRPZIRGCYFT-LQRCOJCASA-N
• XLogP: 4.89
• TPSA: 179.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	730.01
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane?

The IUPAC name of N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane (CID 144562780) is N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane.

What is the SMILES notation for N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane?

The canonical SMILES for N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane is C1CCCCC1.CC.CCC.CCCC[C@H]1CCN(C(=O)C(NC(=O)CNC(=O)c2cnccn2)C(C)(C)C)C1C(=O)NCC(=O)C(=O)NC1CC1.

What is the InChIKey of N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane?

The InChIKey is GQQDRPZIRGCYFT-LQRCOJCASA-N. The full InChI is InChI=1S/C28H41N7O6.C6H12.C3H8.C2H6/c1-5-6-7-17-10-13-35(22(17)26(40)31-15-20(36)25(39)33-18-8-9-18)27(41)23(28(2,3)4)34-21(37)16-32-24(38)19-14-29-11-12-30-19;1-2-4-6-5-3-1;1-3-2;1-2/h11-12,14,17-18,22-23H,5-10,13,15-16H2,1-4H3,(H,31,40)(H,32,38)(H,33,39)(H,34,37);1-6H2;3H2,1-2H3;1-2H3/t17-,22?,23?;;;/m0.../s1.

What are the key properties of N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane?

N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane has a molecular weight of 730.01 g/mol, XLogP of 4.89, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane is sourced from PubChem (CID 144562780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).