N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclohexyl-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;2-methylpyridine

C33H50N6O6 — CID 143358695

About N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclohexyl-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;2-methylpyridine

N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclohexyl-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;2-methylpyridine (PubChem CID 143358695) has the molecular formula C33H50N6O6 and a molecular weight of 626.80 g/mol. Its IUPAC name is N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclohexyl-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;2-methylpyridine.

Molecular Properties

• Compound Name: N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclohexyl-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;2-methylpyridine
• PubChem CID: 143358695
• Molecular Formula: C33H50N6O6
• Molecular Weight: 626.80 g/mol
• Exact Mass: 626.38
• IUPAC Name: N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclohexyl-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;2-methylpyridine
• SMILES: CC(C)(C)C(NC(=O)NC(C=O)C1CCCCC1)C(=O)N1CCCC1C(=O)NC(CC1CC1)C(=O)C(N)=O.Cc1ccccn1
• InChI: InChI=1S/C27H43N5O6.C6H7N/c1-27(2,3)22(31-26(38)30-19(15-33)17-8-5-4-6-9-17)25(37)32-13-7-10-20(32)24(36)29-18(14-16-11-12-16)21(34)23(28)35;1-6-4-2-3-5-7-6/h15-20,22H,4-14H2,1-3H3,(H2,28,35)(H,29,36)(H2,30,31,38);2-5H,1H3
• InChIKey: QXMIZBIEPROYBB-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 180.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	626.80
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-cyclohexyl-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;2-methylpyridine?

The IUPAC name of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclohexyl-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;2-methylpyridine (CID 143358695) is N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclohexyl-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;2-methylpyridine.

What is the SMILES notation for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclohexyl-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;2-methylpyridine?

The canonical SMILES for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclohexyl-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;2-methylpyridine is CC(C)(C)C(NC(=O)NC(C=O)C1CCCCC1)C(=O)N1CCCC1C(=O)NC(CC1CC1)C(=O)C(N)=O.Cc1ccccn1.

What is the InChIKey of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclohexyl-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;2-methylpyridine?

The InChIKey is QXMIZBIEPROYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N5O6.C6H7N/c1-27(2,3)22(31-26(38)30-19(15-33)17-8-5-4-6-9-17)25(37)32-13-7-10-20(32)24(36)29-18(14-16-11-12-16)21(34)23(28)35;1-6-4-2-3-5-7-6/h15-20,22H,4-14H2,1-3H3,(H2,28,35)(H,29,36)(H2,30,31,38);2-5H,1H3.

What are the key properties of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclohexyl-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;2-methylpyridine?

N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclohexyl-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;2-methylpyridine has a molecular weight of 626.80 g/mol, XLogP of 2.57, 11 rotatable bonds, 4 hydrogen bond donors, and 7 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-cyclohexyl-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;2-methylpyridine is sourced from PubChem (CID 143358695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).