N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[6-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]-3-pyridinyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4,5,5-trimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-ol

C153H171N25O16 — CID 158970477

About N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[6-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]-3-pyridinyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4,5,5-trimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-ol

N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[6-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]-3-pyridinyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4,5,5-trimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-ol (PubChem CID 158970477) has the molecular formula C153H171N25O16 and a molecular weight of 2616.21 g/mol. Its IUPAC name is N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[6-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]-3-pyridinyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4,5,5-trimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-ol.

Molecular Properties

• Compound Name: N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[6-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]-3-pyridinyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4,5,5-trimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-ol
• PubChem CID: 158970477
• Molecular Formula: C153H171N25O16
• Molecular Weight: 2616.21 g/mol
• Exact Mass: 2614.33
• IUPAC Name: N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[6-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]-3-pyridinyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4,5,5-trimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-ol
• SMILES: C=C(c1ccc(C2=NOC(C)(C)C2(C)O)cc1)N(c1ncccc1C)C1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2=O)cn1)N(c1ncccc1C)C1CCCNC1.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3-c3ccccc3)C3CCCNC3)cc2)C1=O.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3-c3ccccc3)C3CCCNC3)cc2)C1=O.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3C3CC3)C3CCCNC3)cc2)C1=O.CCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)C1CCCNC1
• InChI: InChI=1S/2C28H28N4O3.C25H28N4O3.C25H32N4O2.C24H28N4O3.C23H27N5O2/c2*1-28(2)25(33)24(31-35-28)20-12-14-21(15-13-20)27(34)32(22-10-6-16-29-18-22)26-23(11-7-17-30-26)19-8-4-3-5-9-19;1-25(2)22(30)21(28-32-25)17-9-11-18(12-10-17)24(31)29(19-5-3-13-26-15-19)23-20(16-7-8-16)6-4-14-27-23;1-17-8-6-15-27-23(17)29(21-9-7-14-26-16-21)18(2)19-10-12-20(13-11-19)22-25(5,30)24(3,4)31-28-22;1-4-16-7-5-14-26-22(16)28(19-8-6-13-25-15-19)23(30)18-11-9-17(10-12-18)20-21(29)24(2,3)31-27-20;1-15-7-5-12-25-22(15)28(18-8-6-11-24-14-18)16(2)19-10-9-17(13-26-19)20-21(29)23(3,4)30-27-20/h2*3-5,7-9,11-15,17,22,29H,6,10,16,18H2,1-2H3;4,6,9-12,14,16,19,26H,3,5,7-8,13,15H2,1-2H3;6,8,10-13,15,21,26,30H,2,7,9,14,16H2,1,3-5H3;5,7,9-12,14,19,25H,4,6,8,13,15H2,1-3H3;5,7,9-10,12-13,18,24H,2,6,8,11,14H2,1,3-4H3
• InChIKey: JNTDEFUVOHQNKW-UHFFFAOYSA-N
• XLogP: 22.00
• TPSA: 485.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2616.21
LogP ≤ 5	22.00
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[6-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]-3-pyridinyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4,5,5-trimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-ol?

The IUPAC name of N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[6-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]-3-pyridinyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4,5,5-trimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-ol (CID 158970477) is N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[6-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]-3-pyridinyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4,5,5-trimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-ol.

What is the SMILES notation for N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[6-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]-3-pyridinyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4,5,5-trimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-ol?

The canonical SMILES for N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[6-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]-3-pyridinyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4,5,5-trimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-ol is C=C(c1ccc(C2=NOC(C)(C)C2(C)O)cc1)N(c1ncccc1C)C1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2=O)cn1)N(c1ncccc1C)C1CCCNC1.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3-c3ccccc3)C3CCCNC3)cc2)C1=O.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3-c3ccccc3)C3CCCNC3)cc2)C1=O.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3C3CC3)C3CCCNC3)cc2)C1=O.CCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)C1CCCNC1.

What is the InChIKey of N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[6-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]-3-pyridinyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4,5,5-trimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-ol?

The InChIKey is JNTDEFUVOHQNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H28N4O3.C25H28N4O3.C25H32N4O2.C24H28N4O3.C23H27N5O2/c2*1-28(2)25(33)24(31-35-28)20-12-14-21(15-13-20)27(34)32(22-10-6-16-29-18-22)26-23(11-7-17-30-26)19-8-4-3-5-9-19;1-25(2)22(30)21(28-32-25)17-9-11-18(12-10-17)24(31)29(19-5-3-13-26-15-19)23-20(16-7-8-16)6-4-14-27-23;1-17-8-6-15-27-23(17)29(21-9-7-14-26-16-21)18(2)19-10-12-20(13-11-19)22-25(5,30)24(3,4)31-28-22;1-4-16-7-5-14-26-22(16)28(19-8-6-13-25-15-19)23(30)18-11-9-17(10-12-18)20-21(29)24(2,3)31-27-20;1-15-7-5-12-25-22(15)28(18-8-6-11-24-14-18)16(2)19-10-9-17(13-26-19)20-21(29)23(3,4)30-27-20/h2*3-5,7-9,11-15,17,22,29H,6,10,16,18H2,1-2H3;4,6,9-12,14,16,19,26H,3,5,7-8,13,15H2,1-2H3;6,8,10-13,15,21,26,30H,2,7,9,14,16H2,1,3-5H3;5,7,9-12,14,19,25H,4,6,8,13,15H2,1-3H3;5,7,9-10,12-13,18,24H,2,6,8,11,14H2,1,3-4H3.

What are the key properties of N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[6-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]-3-pyridinyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4,5,5-trimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-ol?

N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[6-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]-3-pyridinyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4,5,5-trimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-ol has a molecular weight of 2616.21 g/mol, XLogP of 22.00, 30 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[6-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]-3-pyridinyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4,5,5-trimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-ol is sourced from PubChem (CID 158970477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).