N-(3-chloro-5-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3S)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-fluoro-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one

C139H154Cl3FN24O17 — CID 157084914

About N-(3-chloro-5-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3S)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-fluoro-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one

N-(3-chloro-5-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3S)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-fluoro-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one (PubChem CID 157084914) has the molecular formula C139H154Cl3FN24O17 and a molecular weight of 2558.27 g/mol. Its IUPAC name is N-(3-chloro-5-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3S)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-fluoro-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one.

Molecular Properties

• Compound Name: N-(3-chloro-5-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3S)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-fluoro-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one
• PubChem CID: 157084914
• Molecular Formula: C139H154Cl3FN24O17
• Molecular Weight: 2558.27 g/mol
• Exact Mass: 2555.10
• IUPAC Name: N-(3-chloro-5-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3S)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-fluoro-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one
• SMILES: C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ncc(Cl)cc1C)[C@@H]1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ncccc1F)[C@@H]1CCCNC1.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3Cl)[C@H]3CCCNC3)cc2)C1=O.COc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.Cc1cnc(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCNC2)c(C)c1.Cc1cnc(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCNC2)c(Cl)c1
• InChI: InChI=1S/C24H27ClN4O2.C24H28N4O3.C23H25ClN4O3.C23H25FN4O2.C23H26N4O4.C22H23ClN4O3/c1-15-12-19(25)13-27-23(15)29(20-6-5-11-26-14-20)16(2)17-7-9-18(10-8-17)21-22(30)24(3,4)31-28-21;1-15-12-16(2)22(26-13-15)28(19-6-5-11-25-14-19)23(30)18-9-7-17(8-10-18)20-21(29)24(3,4)31-27-20;1-14-11-18(24)21(26-12-14)28(17-5-4-10-25-13-17)22(30)16-8-6-15(7-9-16)19-20(29)23(2,3)31-27-19;1-15(16-8-10-17(11-9-16)20-21(29)23(2,3)30-27-20)28(18-6-4-12-25-14-18)22-19(24)7-5-13-26-22;1-23(2)20(28)19(26-31-23)15-8-10-16(11-9-15)22(29)27(17-6-4-12-24-14-17)21-18(30-3)7-5-13-25-21;1-22(2)19(28)18(26-30-22)14-7-9-15(10-8-14)21(29)27(16-5-3-11-24-13-16)20-17(23)6-4-12-25-20/h7-10,12-13,20,26H,2,5-6,11,14H2,1,3-4H3;7-10,12-13,19,25H,5-6,11,14H2,1-4H3;6-9,11-12,17,25H,4-5,10,13H2,1-3H3;5,7-11,13,18,25H,1,4,6,12,14H2,2-3H3;5,7-11,13,17,24H,4,6,12,14H2,1-3H3;4,6-10,12,16,24H,3,5,11,13H2,1-2H3/t20-;19-;17-;18-;17-;16-/m111110/s1
• InChIKey: ADZCFVXQSXLJNK-BGSOAKEISA-N
• XLogP: 20.38
• TPSA: 478.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2558.27
LogP ≤ 5	20.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3S)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-fluoro-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one?

The IUPAC name of N-(3-chloro-5-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3S)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-fluoro-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one (CID 157084914) is N-(3-chloro-5-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3S)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-fluoro-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one.

What is the SMILES notation for N-(3-chloro-5-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3S)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-fluoro-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one?

The canonical SMILES for N-(3-chloro-5-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3S)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-fluoro-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one is C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ncc(Cl)cc1C)[C@@H]1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ncccc1F)[C@@H]1CCCNC1.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3Cl)[C@H]3CCCNC3)cc2)C1=O.COc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.Cc1cnc(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCNC2)c(C)c1.Cc1cnc(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCNC2)c(Cl)c1.

What is the InChIKey of N-(3-chloro-5-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3S)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-fluoro-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one?

The InChIKey is ADZCFVXQSXLJNK-BGSOAKEISA-N. The full InChI is InChI=1S/C24H27ClN4O2.C24H28N4O3.C23H25ClN4O3.C23H25FN4O2.C23H26N4O4.C22H23ClN4O3/c1-15-12-19(25)13-27-23(15)29(20-6-5-11-26-14-20)16(2)17-7-9-18(10-8-17)21-22(30)24(3,4)31-28-21;1-15-12-16(2)22(26-13-15)28(19-6-5-11-25-14-19)23(30)18-9-7-17(8-10-18)20-21(29)24(3,4)31-27-20;1-14-11-18(24)21(26-12-14)28(17-5-4-10-25-13-17)22(30)16-8-6-15(7-9-16)19-20(29)23(2,3)31-27-19;1-15(16-8-10-17(11-9-16)20-21(29)23(2,3)30-27-20)28(18-6-4-12-25-14-18)22-19(24)7-5-13-26-22;1-23(2)20(28)19(26-31-23)15-8-10-16(11-9-15)22(29)27(17-6-4-12-24-14-17)21-18(30-3)7-5-13-25-21;1-22(2)19(28)18(26-30-22)14-7-9-15(10-8-14)21(29)27(16-5-3-11-24-13-16)20-17(23)6-4-12-25-20/h7-10,12-13,20,26H,2,5-6,11,14H2,1,3-4H3;7-10,12-13,19,25H,5-6,11,14H2,1-4H3;6-9,11-12,17,25H,4-5,10,13H2,1-3H3;5,7-11,13,18,25H,1,4,6,12,14H2,2-3H3;5,7-11,13,17,24H,4,6,12,14H2,1-3H3;4,6-10,12,16,24H,3,5,11,13H2,1-2H3/t20-;19-;17-;18-;17-;16-/m111110/s1.

What are the key properties of N-(3-chloro-5-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3S)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-fluoro-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one?

N-(3-chloro-5-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3S)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-fluoro-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one has a molecular weight of 2558.27 g/mol, XLogP of 20.38, 27 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-5-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(5-chloro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3S)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3,5-dimethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methoxy-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;3-[4-[1-[(3-fluoro-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one is sourced from PubChem (CID 157084914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).