6-(dimethylamino)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]quinazoline-4-carboxamide

C123H118N26O19 — CID 159180815

About 6-(dimethylamino)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]quinazoline-4-carboxamide

6-(dimethylamino)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]quinazoline-4-carboxamide (PubChem CID 159180815) has the molecular formula C123H118N26O19 and a molecular weight of 2264.46 g/mol. Its IUPAC name is 6-(dimethylamino)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]quinazoline-4-carboxamide.

Molecular Properties

• Compound Name: 6-(dimethylamino)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]quinazoline-4-carboxamide
• PubChem CID: 159180815
• Molecular Formula: C123H118N26O19
• Molecular Weight: 2264.46 g/mol
• Exact Mass: 2262.91
• IUPAC Name: 6-(dimethylamino)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]quinazoline-4-carboxamide
• SMILES: CN1CC[C@@](O)(C#Cc2cccc(-c3cccc(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3ccnc(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4ccccc4n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N(C)C)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CCCC4)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CCOCC4)n3)c2)C1=O
• InChI: InChI=1S/C22H23N5O4.C22H23N5O3.C22H18N4O3.C20H21N5O3.C19H17N3O3.C18H16N4O3/c1-26-8-7-22(30,21(26)29)6-5-15-3-2-4-16(13-15)20-24-17(19(23)28)14-18(25-20)27-9-11-31-12-10-27;1-26-12-9-22(30,21(26)29)8-7-15-5-4-6-16(13-15)20-24-17(19(23)28)14-18(25-20)27-10-2-3-11-27;1-26-12-11-22(29,21(26)28)10-9-14-5-4-6-15(13-14)20-24-17-8-3-2-7-16(17)18(25-20)19(23)27;1-24(2)16-12-15(17(21)26)22-18(23-16)14-6-4-5-13(11-14)7-8-20(28)9-10-25(3)19(20)27;1-22-11-10-19(25,18(22)24)9-8-13-4-2-5-14(12-13)15-6-3-7-16(21-15)17(20)23;1-22-10-8-18(25,17(22)24)7-5-12-3-2-4-13(11-12)14-6-9-20-16(21-14)15(19)23/h2-4,13-14,30H,7-12H2,1H3,(H2,23,28);4-6,13-14,30H,2-3,9-12H2,1H3,(H2,23,28);2-8,13,29H,11-12H2,1H3,(H2,23,27);4-6,11-12,28H,9-10H2,1-3H3,(H2,21,26);2-7,12,25H,10-11H2,1H3,(H2,20,23);2-4,6,9,11,25H,8,10H2,1H3,(H2,19,23)/t3*22-;20-;19-;18-/m000000/s1
• InChIKey: KMWCWANEDZHRKD-XNBBDXCFSA-N
• XLogP: 3.38
• TPSA: 662.52 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 15
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2264.46
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]quinazoline-4-carboxamide?

The IUPAC name of 6-(dimethylamino)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]quinazoline-4-carboxamide (CID 159180815) is 6-(dimethylamino)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]quinazoline-4-carboxamide.

What is the SMILES notation for 6-(dimethylamino)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]quinazoline-4-carboxamide?

The canonical SMILES for 6-(dimethylamino)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]quinazoline-4-carboxamide is CN1CC[C@@](O)(C#Cc2cccc(-c3cccc(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3ccnc(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4ccccc4n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N(C)C)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CCCC4)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CCOCC4)n3)c2)C1=O.

What is the InChIKey of 6-(dimethylamino)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]quinazoline-4-carboxamide?

The InChIKey is KMWCWANEDZHRKD-XNBBDXCFSA-N. The full InChI is InChI=1S/C22H23N5O4.C22H23N5O3.C22H18N4O3.C20H21N5O3.C19H17N3O3.C18H16N4O3/c1-26-8-7-22(30,21(26)29)6-5-15-3-2-4-16(13-15)20-24-17(19(23)28)14-18(25-20)27-9-11-31-12-10-27;1-26-12-9-22(30,21(26)29)8-7-15-5-4-6-16(13-15)20-24-17(19(23)28)14-18(25-20)27-10-2-3-11-27;1-26-12-11-22(29,21(26)28)10-9-14-5-4-6-15(13-14)20-24-17-8-3-2-7-16(17)18(25-20)19(23)27;1-24(2)16-12-15(17(21)26)22-18(23-16)14-6-4-5-13(11-14)7-8-20(28)9-10-25(3)19(20)27;1-22-11-10-19(25,18(22)24)9-8-13-4-2-5-14(12-13)15-6-3-7-16(21-15)17(20)23;1-22-10-8-18(25,17(22)24)7-5-12-3-2-4-13(11-12)14-6-9-20-16(21-14)15(19)23/h2-4,13-14,30H,7-12H2,1H3,(H2,23,28);4-6,13-14,30H,2-3,9-12H2,1H3,(H2,23,28);2-8,13,29H,11-12H2,1H3,(H2,23,27);4-6,11-12,28H,9-10H2,1-3H3,(H2,21,26);2-7,12,25H,10-11H2,1H3,(H2,20,23);2-4,6,9,11,25H,8,10H2,1H3,(H2,19,23)/t3*22-;20-;19-;18-/m000000/s1.

What are the key properties of 6-(dimethylamino)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]quinazoline-4-carboxamide?

6-(dimethylamino)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]quinazoline-4-carboxamide has a molecular weight of 2264.46 g/mol, XLogP of 3.38, 15 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(dimethylamino)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]quinazoline-4-carboxamide is sourced from PubChem (CID 159180815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).