1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;5-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-2-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide

C121H116N24O8S3 — CID 161257869

About 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;5-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-2-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;5-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-2-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 161257869) has the molecular formula C121H116N24O8S3 and a molecular weight of 2130.62 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;5-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-2-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

• Compound Name: 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;5-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-2-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
• PubChem CID: 161257869
• Molecular Formula: C121H116N24O8S3
• Molecular Weight: 2130.62 g/mol
• Exact Mass: 2128.86
• IUPAC Name: 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;5-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-2-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
• SMILES: COc1cncc(-c2ccc(C(C)(C(=O)Nc3ccc(-c4csc(C)n4)cc3)C(C)C)cc2)c1.COc1cncc(-c2ccc(C(C)(C(=O)Nc3cccc(-c4csc(C)n4)c3)C(C)C)cc2)c1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cn1.NC(=O)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5ccccc5)ns4)CCC3)cc2)cn1
• InChI: InChI=1S/2C28H29N3O2S.C23H20N6OS.C21H20N6O2.C21H18N6O/c1-18(2)28(4,23-10-6-20(7-11-23)22-14-25(33-5)16-29-15-22)27(32)31-24-12-8-21(9-13-24)26-17-34-19(3)30-26;1-18(2)28(4,23-11-9-20(10-12-23)22-14-25(33-5)16-29-15-22)27(32)31-24-8-6-7-21(13-24)26-17-34-19(3)30-26;24-21-25-13-17(14-26-21)15-7-9-18(10-8-15)23(11-4-12-23)20(30)28-22-27-19(29-31-22)16-5-2-1-3-6-16;22-18(28)17-7-6-16(12-24-17)27-19(29)21(8-1-9-21)15-4-2-13(3-5-15)14-10-25-20(23)26-11-14;22-10-17-6-7-18(13-24-17)27-19(28)21(8-1-9-21)16-4-2-14(3-5-16)15-11-25-20(23)26-12-15/h2*6-18H,1-5H3,(H,31,32);1-3,5-10,13-14H,4,11-12H2,(H2,24,25,26)(H,27,28,29,30);2-7,10-12H,1,8-9H2,(H2,22,28)(H,27,29)(H2,23,25,26);2-7,11-13H,1,8-9H2,(H,27,28)(H2,23,25,26)
• InChIKey: VCEAEXRZIYEZLW-UHFFFAOYSA-N
• XLogP: 23.12
• TPSA: 489.36 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2130.62
LogP ≤ 5	23.12
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;5-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-2-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?

The IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;5-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-2-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide (CID 161257869) is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;5-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-2-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide.

What is the SMILES notation for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;5-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-2-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?

The canonical SMILES for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;5-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-2-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide is COc1cncc(-c2ccc(C(C)(C(=O)Nc3ccc(-c4csc(C)n4)cc3)C(C)C)cc2)c1.COc1cncc(-c2ccc(C(C)(C(=O)Nc3cccc(-c4csc(C)n4)c3)C(C)C)cc2)c1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cn1.NC(=O)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5ccccc5)ns4)CCC3)cc2)cn1.

What is the InChIKey of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;5-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-2-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?

The InChIKey is VCEAEXRZIYEZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H29N3O2S.C23H20N6OS.C21H20N6O2.C21H18N6O/c1-18(2)28(4,23-10-6-20(7-11-23)22-14-25(33-5)16-29-15-22)27(32)31-24-12-8-21(9-13-24)26-17-34-19(3)30-26;1-18(2)28(4,23-11-9-20(10-12-23)22-14-25(33-5)16-29-15-22)27(32)31-24-8-6-7-21(13-24)26-17-34-19(3)30-26;24-21-25-13-17(14-26-21)15-7-9-18(10-8-15)23(11-4-12-23)20(30)28-22-27-19(29-31-22)16-5-2-1-3-6-16;22-18(28)17-7-6-16(12-24-17)27-19(29)21(8-1-9-21)15-4-2-13(3-5-15)14-10-25-20(23)26-11-14;22-10-17-6-7-18(13-24-17)27-19(28)21(8-1-9-21)16-4-2-14(3-5-16)15-11-25-20(23)26-12-15/h2*6-18H,1-5H3,(H,31,32);1-3,5-10,13-14H,4,11-12H2,(H2,24,25,26)(H,27,28,29,30);2-7,10-12H,1,8-9H2,(H2,22,28)(H,27,29)(H2,23,25,26);2-7,11-13H,1,8-9H2,(H,27,28)(H2,23,25,26).

What are the key properties of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;5-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-2-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;5-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-2-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 2130.62 g/mol, XLogP of 23.12, 28 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide;5-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-2-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclobutane-1-carboxamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;2-[4-(5-methoxy-3-pyridinyl)phenyl]-2,3-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 161257869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).