1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]pyrrolidine-2-carboxamide

C23H32N6O4 — CID 175466133

About 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]pyrrolidine-2-carboxamide

1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 175466133) has the molecular formula C23H32N6O4 and a molecular weight of 456.55 g/mol. Its IUPAC name is 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]pyrrolidine-2-carboxamide
• PubChem CID: 175466133
• Molecular Formula: C23H32N6O4
• Molecular Weight: 456.55 g/mol
• Exact Mass: 456.25
• IUPAC Name: 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]pyrrolidine-2-carboxamide
• SMILES: CC(NC(=O)C1CC(O)CN1C(=O)[C@H](n1cc(C2CC2)nn1)C(C)(C)C)c1cc[nH]c(=O)c1
• InChI: InChI=1S/C23H32N6O4/c1-13(15-7-8-24-19(31)9-15)25-21(32)18-10-16(30)11-28(18)22(33)20(23(2,3)4)29-12-17(26-27-29)14-5-6-14/h7-9,12-14,16,18,20,30H,5-6,10-11H2,1-4H3,(H,24,31)(H,25,32)/t13?,16?,18?,20-/m0/s1
• InChIKey: DBLZWMTUDRTPFZ-OPVMGVIGSA-N
• XLogP: 1.27
• TPSA: 133.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.55
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]pyrrolidine-2-carboxamide (CID 175466133) is 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]pyrrolidine-2-carboxamide is CC(NC(=O)C1CC(O)CN1C(=O)[C@H](n1cc(C2CC2)nn1)C(C)(C)C)c1cc[nH]c(=O)c1.

What is the InChIKey of 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]pyrrolidine-2-carboxamide?

The InChIKey is DBLZWMTUDRTPFZ-OPVMGVIGSA-N. The full InChI is InChI=1S/C23H32N6O4/c1-13(15-7-8-24-19(31)9-15)25-21(32)18-10-16(30)11-28(18)22(33)20(23(2,3)4)29-12-17(26-27-29)14-5-6-14/h7-9,12-14,16,18,20,30H,5-6,10-11H2,1-4H3,(H,24,31)(H,25,32)/t13?,16?,18?,20-/m0/s1.

What are the key properties of 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]pyrrolidine-2-carboxamide?

1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 175466133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).