N-[1-cyclohexyl-2-[[(2S)-1-[2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;5-ethyl-1H-pyridin-2-one;propane

C40H60N8O7 — CID 143031589

About N-[1-cyclohexyl-2-[[(2S)-1-[2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;5-ethyl-1H-pyridin-2-one;propane

N-[1-cyclohexyl-2-[[(2S)-1-[2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;5-ethyl-1H-pyridin-2-one;propane (PubChem CID 143031589) has the molecular formula C40H60N8O7 and a molecular weight of 764.97 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-[[(2S)-1-[2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;5-ethyl-1H-pyridin-2-one;propane.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-2-[[(2S)-1-[2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;5-ethyl-1H-pyridin-2-one;propane
• PubChem CID: 143031589
• Molecular Formula: C40H60N8O7
• Molecular Weight: 764.97 g/mol
• Exact Mass: 764.46
• IUPAC Name: N-[1-cyclohexyl-2-[[(2S)-1-[2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;5-ethyl-1H-pyridin-2-one;propane
• SMILES: CC(C)(C)[C@H](NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1CCCC1C(=O)NCC(=O)C(=O)NC1CC1.CCC.CCc1ccc(=O)[nH]c1
• InChI: InChI=1S/C30H43N7O6.C7H9NO.C3H8/c1-30(2,3)24(29(43)37-15-7-10-21(37)26(40)33-17-22(38)27(41)34-19-11-12-19)36-28(42)23(18-8-5-4-6-9-18)35-25(39)20-16-31-13-14-32-20;1-2-6-3-4-7(9)8-5-6;1-3-2/h13-14,16,18-19,21,23-24H,4-12,15,17H2,1-3H3,(H,33,40)(H,34,41)(H,35,39)(H,36,42);3-5H,2H2,1H3,(H,8,9);3H2,1-2H3/t21?,23?,24-;;/m1../s1
• InChIKey: MWYAVDBDJYQZLS-MLBGIHOISA-N
• XLogP: 2.99
• TPSA: 212.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	764.97
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-[[(2S)-1-[2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;5-ethyl-1H-pyridin-2-one;propane?

The IUPAC name of N-[1-cyclohexyl-2-[[(2S)-1-[2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;5-ethyl-1H-pyridin-2-one;propane (CID 143031589) is N-[1-cyclohexyl-2-[[(2S)-1-[2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;5-ethyl-1H-pyridin-2-one;propane.

What is the SMILES notation for N-[1-cyclohexyl-2-[[(2S)-1-[2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;5-ethyl-1H-pyridin-2-one;propane?

The canonical SMILES for N-[1-cyclohexyl-2-[[(2S)-1-[2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;5-ethyl-1H-pyridin-2-one;propane is CC(C)(C)[C@H](NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1CCCC1C(=O)NCC(=O)C(=O)NC1CC1.CCC.CCc1ccc(=O)[nH]c1.

What is the InChIKey of N-[1-cyclohexyl-2-[[(2S)-1-[2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;5-ethyl-1H-pyridin-2-one;propane?

The InChIKey is MWYAVDBDJYQZLS-MLBGIHOISA-N. The full InChI is InChI=1S/C30H43N7O6.C7H9NO.C3H8/c1-30(2,3)24(29(43)37-15-7-10-21(37)26(40)33-17-22(38)27(41)34-19-11-12-19)36-28(42)23(18-8-5-4-6-9-18)35-25(39)20-16-31-13-14-32-20;1-2-6-3-4-7(9)8-5-6;1-3-2/h13-14,16,18-19,21,23-24H,4-12,15,17H2,1-3H3,(H,33,40)(H,34,41)(H,35,39)(H,36,42);3-5H,2H2,1H3,(H,8,9);3H2,1-2H3/t21?,23?,24-;;/m1../s1.

What are the key properties of N-[1-cyclohexyl-2-[[(2S)-1-[2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;5-ethyl-1H-pyridin-2-one;propane?

N-[1-cyclohexyl-2-[[(2S)-1-[2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;5-ethyl-1H-pyridin-2-one;propane has a molecular weight of 764.97 g/mol, XLogP of 2.99, 12 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-2-[[(2S)-1-[2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;5-ethyl-1H-pyridin-2-one;propane is sourced from PubChem (CID 143031589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).