ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide;methanol

C53H51N7O8 — CID 157130156

About ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide;methanol

ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide;methanol (PubChem CID 157130156) has the molecular formula C53H51N7O8 and a molecular weight of 914.03 g/mol. Its IUPAC name is ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide;methanol.

Molecular Properties

• Compound Name: ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide;methanol
• PubChem CID: 157130156
• Molecular Formula: C53H51N7O8
• Molecular Weight: 914.03 g/mol
• Exact Mass: 913.38
• IUPAC Name: ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide;methanol
• SMILES: CCOC(=O)c1cc(-c2ccc(C)nc2)cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.CO.Cc1ccc(-c2cc(C(N)=O)nc(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)c2)cn1
• InChI: InChI=1S/C27H25N3O4.C25H22N4O3.CH4O/c1-4-34-25(31)24-16-22(21-9-8-18(2)28-17-21)15-23(29-24)20-7-5-6-19(14-20)10-11-27(33)12-13-30(3)26(27)32;1-16-6-7-19(15-27-16)20-13-21(28-22(14-20)23(26)30)18-5-3-4-17(12-18)8-9-25(32)10-11-29(2)24(25)31;1-2/h5-9,14-17,33H,4,12-13H2,1-3H3;3-7,12-15,32H,10-11H2,1-2H3,(H2,26,30);2H,1H3/t27-;25-;/m00./s1
• InChIKey: AIYZPTQJHCXEQG-UXNGFDBPSA-N
• XLogP: 5.01
• TPSA: 222.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	914.03
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide;methanol?

The IUPAC name of ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide;methanol (CID 157130156) is ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide;methanol.

What is the SMILES notation for ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide;methanol?

The canonical SMILES for ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide;methanol is CCOC(=O)c1cc(-c2ccc(C)nc2)cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.CO.Cc1ccc(-c2cc(C(N)=O)nc(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)c2)cn1.

What is the InChIKey of ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide;methanol?

The InChIKey is AIYZPTQJHCXEQG-UXNGFDBPSA-N. The full InChI is InChI=1S/C27H25N3O4.C25H22N4O3.CH4O/c1-4-34-25(31)24-16-22(21-9-8-18(2)28-17-21)15-23(29-24)20-7-5-6-19(14-20)10-11-27(33)12-13-30(3)26(27)32;1-16-6-7-19(15-27-16)20-13-21(28-22(14-20)23(26)30)18-5-3-4-17(12-18)8-9-25(32)10-11-29(2)24(25)31;1-2/h5-9,14-17,33H,4,12-13H2,1-3H3;3-7,12-15,32H,10-11H2,1-2H3,(H2,26,30);2H,1H3/t27-;25-;/m00./s1.

What are the key properties of ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide;methanol?

ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide;methanol has a molecular weight of 914.03 g/mol, XLogP of 5.01, 7 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxylate;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide;methanol is sourced from PubChem (CID 157130156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).