N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate

C211H311F11N32O29 — CID 164947018

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C[C@@H]1CC[C@@H](c2ccc(F)cc2)NC1.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(F)cc2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(F)cc2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)OCC(F)(F)F)cnc1NC(=O)OC(C)(C)C
InChIInChI=1S/5C25H31FN4O4.2C20H23FN4O2.C15H18F3N3O5.C12H16FN.19CH4/c5*1-15-6-11-20(17-7-9-18(26)10-8-17)30(14-15)23(32)22(31)28-19-12-16(2)21(27-13-19)29-24(33)34-25(3,4)5;2*1-12-3-8-17(14-4-6-15(21)7-5-14)25(11-12)20(27)19(26)24-16-9-13(2)18(22)23-10-16;1-8-5-9(20-11(22)12(23)25-7-15(16,17)18)6-19-10(8)21-13(24)26-14(2,3)4;1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10;;;;;;;;;;;;;;;;;;;/h5*7-10,12-13,15,20H,6,11,14H2,1-5H3,(H,28,31)(H,27,29,33);2*4-7,9-10,12,17H,3,8,11H2,1-2H3,(H2,22,23)(H,24,26);5-6H,7H2,1-4H3,(H,20,22)(H,19,21,24);3-6,9,12,14H,2,7-8H2,1H3;19*1H4/t3*15-,20+;2*15-,20-;2*12-,17+;;9-,12+;;;;;;;;;;;;;;;;;;;/m1101010.1.................../s1
InChIKeyAAERPSKDBYUZOU-BZTILPBHSA-N
MW3968.98 g/mol
LogP47.92
Rot. Bonds23

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate (PubChem CID 164947018) has the molecular formula C211H311F11N32O29 and a molecular weight of 3968.98 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate
PubChem CID164947018
Molecular FormulaC211H311F11N32O29
Molecular Weight3968.98 g/mol
Exact Mass3966.37
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C[C@@H]1CC[C@@H](c2ccc(F)cc2)NC1.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(F)cc2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(F)cc2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)OCC(F)(F)F)cnc1NC(=O)OC(C)(C)C
InChIInChI=1S/5C25H31FN4O4.2C20H23FN4O2.C15H18F3N3O5.C12H16FN.19CH4/c5*1-15-6-11-20(17-7-9-18(26)10-8-17)30(14-15)23(32)22(31)28-19-12-16(2)21(27-13-19)29-24(33)34-25(3,4)5;2*1-12-3-8-17(14-4-6-15(21)7-5-14)25(11-12)20(27)19(26)24-16-9-13(2)18(22)23-10-16;1-8-5-9(20-11(22)12(23)25-7-15(16,17)18)6-19-10(8)21-13(24)26-14(2,3)4;1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10;;;;;;;;;;;;;;;;;;;/h5*7-10,12-13,15,20H,6,11,14H2,1-5H3,(H,28,31)(H,27,29,33);2*4-7,9-10,12,17H,3,8,11H2,1-2H3,(H2,22,23)(H,24,26);5-6H,7H2,1-4H3,(H,20,22)(H,19,21,24);3-6,9,12,14H,2,7-8H2,1H3;19*1H4/t3*15-,20+;2*15-,20-;2*12-,17+;;9-,12+;;;;;;;;;;;;;;;;;;;/m1101010.1.................../s1
InChIKeyAAERPSKDBYUZOU-BZTILPBHSA-N
XLogP47.92
TPSA798.44 Ų
H-Bond Donors17
H-Bond Acceptors40
Rotatable Bonds23
Heavy Atoms283
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003968.98
LogP ≤ 547.92
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1040

Analyze N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate (CID 164947018) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C[C@@H]1CC[C@@H](c2ccc(F)cc2)NC1.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(F)cc2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(F)cc2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)OCC(F)(F)F)cnc1NC(=O)OC(C)(C)C.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate?
The InChIKey is AAERPSKDBYUZOU-BZTILPBHSA-N. The full InChI is InChI=1S/5C25H31FN4O4.2C20H23FN4O2.C15H18F3N3O5.C12H16FN.19CH4/c5*1-15-6-11-20(17-7-9-18(26)10-8-17)30(14-15)23(32)22(31)28-19-12-16(2)21(27-13-19)29-24(33)34-25(3,4)5;2*1-12-3-8-17(14-4-6-15(21)7-5-14)25(11-12)20(27)19(26)24-16-9-13(2)18(22)23-10-16;1-8-5-9(20-11(22)12(23)25-7-15(16,17)18)6-19-10(8)21-13(24)26-14(2,3)4;1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10;;;;;;;;;;;;;;;;;;;/h5*7-10,12-13,15,20H,6,11,14H2,1-5H3,(H,28,31)(H,27,29,33);2*4-7,9-10,12,17H,3,8,11H2,1-2H3,(H2,22,23)(H,24,26);5-6H,7H2,1-4H3,(H,20,22)(H,19,21,24);3-6,9,12,14H,2,7-8H2,1H3;19*1H4/t3*15-,20+;2*15-,20-;2*12-,17+;;9-,12+;;;;;;;;;;;;;;;;;;;/m1101010.1.................../s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate has a molecular weight of 3968.98 g/mol, XLogP of 47.92, 23 rotatable bonds, 17 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate is sourced from PubChem (CID 164947018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).