N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine

C170H198ClFN28O20 — CID 158001657

IUPACN-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine
SMILESC=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ncccc1C)C1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2OCCOC)cc1)N(c1ncccc1C)C1CCCNC1.CC1(C)ON=C(c2ccc(C(=O)N(c3nccc4c3CCC4)C3CCCNC3)cc2)C1=O.Cc1cc(C(=O)N(c2ncccc2C)C2CCCNC2)ccc1C1=NOC(C)(C)C1=O.Cc1cc(C(=O)N(c2ncccc2Cl)C2CCCNC2)ccc1C1=NOC(C)(C)C1=O.Cc1cc(C2=NOC(C)(C)C2=O)ccc1C(=O)N(c1ncccc1C)C1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1F)C1CCCNC1
InChIInChI=1S/C27H36N4O3.C25H28N4O3.2C24H28N4O3.C24H28N4O2.C23H25ClN4O3.C23H25FN4O3/c1-19-8-6-15-29-26(19)31(23-9-7-14-28-18-23)20(2)21-10-12-22(13-11-21)24-25(33-17-16-32-5)27(3,4)34-30-24;1-25(2)22(30)21(28-32-25)17-8-10-18(11-9-17)24(31)29(19-6-4-13-26-15-19)23-20-7-3-5-16(20)12-14-27-23;1-15-7-5-12-26-22(15)28(18-8-6-11-25-14-18)23(30)17-9-10-19(16(2)13-17)20-21(29)24(3,4)31-27-20;1-15-7-5-12-26-22(15)28(18-8-6-11-25-14-18)23(30)19-10-9-17(13-16(19)2)20-21(29)24(3,4)31-27-20;1-16-7-5-14-26-23(16)28(20-8-6-13-25-15-20)17(2)18-9-11-19(12-10-18)21-22(29)24(3,4)30-27-21;1-14-12-15(8-9-17(14)19-20(29)23(2,3)31-27-19)22(30)28(16-6-4-10-25-13-16)21-18(24)7-5-11-26-21;1-14-6-4-11-26-21(14)28(16-7-5-10-25-13-16)22(30)17-9-8-15(12-18(17)24)19-20(29)23(2,3)31-27-19/h6,8,10-13,15,23,25,28H,2,7,9,14,16-18H2,1,3-5H3;8-12,14,19,26H,3-7,13,15H2,1-2H3;2*5,7,9-10,12-13,18,25H,6,8,11,14H2,1-4H3;5,7,9-12,14,20,25H,2,6,8,13,15H2,1,3-4H3;5,7-9,11-12,16,25H,4,6,10,13H2,1-3H3;4,6,8-9,11-12,16,25H,5,7,10,13H2,1-3H3
InChIKeyFDUPCIKSXKAXKS-UHFFFAOYSA-N
MW3008.08 g/mol
LogP23.81
Rot. Bonds34

About N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine

N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine (PubChem CID 158001657) has the molecular formula C170H198ClFN28O20 and a molecular weight of 3008.08 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine
PubChem CID158001657
Molecular FormulaC170H198ClFN28O20
Molecular Weight3008.08 g/mol
Exact Mass3005.50
IUPAC NameN-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine
SMILESC=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ncccc1C)C1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2OCCOC)cc1)N(c1ncccc1C)C1CCCNC1.CC1(C)ON=C(c2ccc(C(=O)N(c3nccc4c3CCC4)C3CCCNC3)cc2)C1=O.Cc1cc(C(=O)N(c2ncccc2C)C2CCCNC2)ccc1C1=NOC(C)(C)C1=O.Cc1cc(C(=O)N(c2ncccc2Cl)C2CCCNC2)ccc1C1=NOC(C)(C)C1=O.Cc1cc(C2=NOC(C)(C)C2=O)ccc1C(=O)N(c1ncccc1C)C1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1F)C1CCCNC1
InChIInChI=1S/C27H36N4O3.C25H28N4O3.2C24H28N4O3.C24H28N4O2.C23H25ClN4O3.C23H25FN4O3/c1-19-8-6-15-29-26(19)31(23-9-7-14-28-18-23)20(2)21-10-12-22(13-11-21)24-25(33-17-16-32-5)27(3,4)34-30-24;1-25(2)22(30)21(28-32-25)17-8-10-18(11-9-17)24(31)29(19-6-4-13-26-15-19)23-20-7-3-5-16(20)12-14-27-23;1-15-7-5-12-26-22(15)28(18-8-6-11-25-14-18)23(30)17-9-10-19(16(2)13-17)20-21(29)24(3,4)31-27-20;1-15-7-5-12-26-22(15)28(18-8-6-11-25-14-18)23(30)19-10-9-17(13-16(19)2)20-21(29)24(3,4)31-27-20;1-16-7-5-14-26-23(16)28(20-8-6-13-25-15-20)17(2)18-9-11-19(12-10-18)21-22(29)24(3,4)30-27-21;1-14-12-15(8-9-17(14)19-20(29)23(2,3)31-27-19)22(30)28(16-6-4-10-25-13-16)21-18(24)7-5-11-26-21;1-14-6-4-11-26-21(14)28(16-7-5-10-25-13-16)22(30)17-9-8-15(12-18(17)24)19-20(29)23(2,3)31-27-19/h6,8,10-13,15,23,25,28H,2,7,9,14,16-18H2,1,3-5H3;8-12,14,19,26H,3-7,13,15H2,1-2H3;2*5,7,9-10,12-13,18,25H,6,8,11,14H2,1-4H3;5,7,9-12,14,20,25H,2,6,8,13,15H2,1,3-4H3;5,7-9,11-12,16,25H,4,6,10,13H2,1-3H3;4,6,8-9,11-12,16,25H,5,7,10,13H2,1-3H3
InChIKeyFDUPCIKSXKAXKS-UHFFFAOYSA-N
XLogP23.81
TPSA554.48 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds34
Heavy Atoms220
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003008.08
LogP ≤ 523.81
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine?
The IUPAC name of N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine (CID 158001657) is N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine is C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ncccc1C)C1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2OCCOC)cc1)N(c1ncccc1C)C1CCCNC1.CC1(C)ON=C(c2ccc(C(=O)N(c3nccc4c3CCC4)C3CCCNC3)cc2)C1=O.Cc1cc(C(=O)N(c2ncccc2C)C2CCCNC2)ccc1C1=NOC(C)(C)C1=O.Cc1cc(C(=O)N(c2ncccc2Cl)C2CCCNC2)ccc1C1=NOC(C)(C)C1=O.Cc1cc(C2=NOC(C)(C)C2=O)ccc1C(=O)N(c1ncccc1C)C1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1F)C1CCCNC1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine?
The InChIKey is FDUPCIKSXKAXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3.C25H28N4O3.2C24H28N4O3.C24H28N4O2.C23H25ClN4O3.C23H25FN4O3/c1-19-8-6-15-29-26(19)31(23-9-7-14-28-18-23)20(2)21-10-12-22(13-11-21)24-25(33-17-16-32-5)27(3,4)34-30-24;1-25(2)22(30)21(28-32-25)17-8-10-18(11-9-17)24(31)29(19-6-4-13-26-15-19)23-20-7-3-5-16(20)12-14-27-23;1-15-7-5-12-26-22(15)28(18-8-6-11-25-14-18)23(30)17-9-10-19(16(2)13-17)20-21(29)24(3,4)31-27-20;1-15-7-5-12-26-22(15)28(18-8-6-11-25-14-18)23(30)19-10-9-17(13-16(19)2)20-21(29)24(3,4)31-27-20;1-16-7-5-14-26-23(16)28(20-8-6-13-25-15-20)17(2)18-9-11-19(12-10-18)21-22(29)24(3,4)30-27-21;1-14-12-15(8-9-17(14)19-20(29)23(2,3)31-27-19)22(30)28(16-6-4-10-25-13-16)21-18(24)7-5-11-26-21;1-14-6-4-11-26-21(14)28(16-7-5-10-25-13-16)22(30)17-9-8-15(12-18(17)24)19-20(29)23(2,3)31-27-19/h6,8,10-13,15,23,25,28H,2,7,9,14,16-18H2,1,3-5H3;8-12,14,19,26H,3-7,13,15H2,1-2H3;2*5,7,9-10,12-13,18,25H,6,8,11,14H2,1-4H3;5,7,9-12,14,20,25H,2,6,8,13,15H2,1,3-4H3;5,7-9,11-12,16,25H,4,6,10,13H2,1-3H3;4,6,8-9,11-12,16,25H,5,7,10,13H2,1-3H3.
What are the key properties of N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine?
N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine has a molecular weight of 3008.08 g/mol, XLogP of 23.81, 34 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine is sourced from PubChem (CID 158001657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).