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

C51H49N9O7 — CID 158344448

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

ethyl 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxylate;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;methane (PubChem CID 158344448) has the molecular formula C51H49N9O7 and a molecular weight of 900.01 g/mol. Its IUPAC name is ethyl 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxylate;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;methane.

Molecular Properties

• Compound Name: ethyl 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxylate;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;methane
• PubChem CID: 158344448
• Molecular Formula: C51H49N9O7
• Molecular Weight: 900.01 g/mol
• Exact Mass: 899.38
• IUPAC Name: ethyl 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxylate;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;methane
• SMILES: C.CCOC(=O)c1cc(-c2ccc(C)nc2)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.Cc1ccc(-c2cc(C(N)=O)nc(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)n2)cn1
• InChI: InChI=1S/C26H24N4O4.C24H21N5O3.CH4/c1-4-34-24(31)22-15-21(20-9-8-17(2)27-16-20)28-23(29-22)19-7-5-6-18(14-19)10-11-26(33)12-13-30(3)25(26)32;1-15-6-7-18(14-26-15)19-13-20(21(25)30)28-22(27-19)17-5-3-4-16(12-17)8-9-24(32)10-11-29(2)23(24)31;/h5-9,14-16,33H,4,12-13H2,1-3H3;3-7,12-14,32H,10-11H2,1-2H3,(H2,25,30);1H4/t26-;24-;/m00./s1
• InChIKey: GRODURQKEIAHFU-IFVKYACASA-N
• XLogP: 4.83
• TPSA: 227.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.01
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of ethyl 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxylate;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;methane (CID 158344448) is ethyl 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxylate;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;methane.

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

The canonical SMILES for ethyl 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxylate;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;methane is C.CCOC(=O)c1cc(-c2ccc(C)nc2)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.Cc1ccc(-c2cc(C(N)=O)nc(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)n2)cn1.

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

The InChIKey is GRODURQKEIAHFU-IFVKYACASA-N. The full InChI is InChI=1S/C26H24N4O4.C24H21N5O3.CH4/c1-4-34-24(31)22-15-21(20-9-8-17(2)27-16-20)28-23(29-22)19-7-5-6-18(14-19)10-11-26(33)12-13-30(3)25(26)32;1-15-6-7-18(14-26-15)19-13-20(21(25)30)28-22(27-19)17-5-3-4-16(12-17)8-9-24(32)10-11-29(2)23(24)31;/h5-9,14-16,33H,4,12-13H2,1-3H3;3-7,12-14,32H,10-11H2,1-2H3,(H2,25,30);1H4/t26-;24-;/m00./s1.

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

ethyl 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxylate;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;methane has a molecular weight of 900.01 g/mol, XLogP of 4.83, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxylate;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide;methane is sourced from PubChem (CID 158344448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).