N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(6-methoxy-2-pyridinyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide

C30H44N6O7 — CID 143102533

About N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(6-methoxy-2-pyridinyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide

N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(6-methoxy-2-pyridinyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide (PubChem CID 143102533) has the molecular formula C30H44N6O7 and a molecular weight of 600.72 g/mol. Its IUPAC name is N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(6-methoxy-2-pyridinyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(6-methoxy-2-pyridinyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
• PubChem CID: 143102533
• Molecular Formula: C30H44N6O7
• Molecular Weight: 600.72 g/mol
• Exact Mass: 600.33
• IUPAC Name: N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(6-methoxy-2-pyridinyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
• SMILES: COc1cccc(C(=O)C(NC(=O)NC(C(=O)N2CCCC2C(=O)NC(CC2CC2)C(=O)C(N)=O)C(C)(C)C)C(C)C)n1
• InChI: InChI=1S/C30H44N6O7/c1-16(2)22(23(37)18-9-7-11-21(32-18)43-6)34-29(42)35-25(30(3,4)5)28(41)36-14-8-10-20(36)27(40)33-19(15-17-12-13-17)24(38)26(31)39/h7,9,11,16-17,19-20,22,25H,8,10,12-15H2,1-6H3,(H2,31,39)(H,33,40)(H2,34,35,42)
• InChIKey: CAEBQWRWWHAACV-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 189.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.72
LogP ≤ 5	1.34
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-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(6-methoxy-2-pyridinyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?

The IUPAC name of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(6-methoxy-2-pyridinyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide (CID 143102533) is N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(6-methoxy-2-pyridinyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(6-methoxy-2-pyridinyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?

The canonical SMILES for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(6-methoxy-2-pyridinyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide is COc1cccc(C(=O)C(NC(=O)NC(C(=O)N2CCCC2C(=O)NC(CC2CC2)C(=O)C(N)=O)C(C)(C)C)C(C)C)n1.

What is the InChIKey of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(6-methoxy-2-pyridinyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?

The InChIKey is CAEBQWRWWHAACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N6O7/c1-16(2)22(23(37)18-9-7-11-21(32-18)43-6)34-29(42)35-25(30(3,4)5)28(41)36-14-8-10-20(36)27(40)33-19(15-17-12-13-17)24(38)26(31)39/h7,9,11,16-17,19-20,22,25H,8,10,12-15H2,1-6H3,(H2,31,39)(H,33,40)(H2,34,35,42).

What are the key properties of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(6-methoxy-2-pyridinyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?

N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(6-methoxy-2-pyridinyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 600.72 g/mol, XLogP of 1.34, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(6-methoxy-2-pyridinyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143102533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).