[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone

C189H239Cl2F7N46O17 — CID 172937924

IUPAC[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone
SMILESCO/N=C(/c1cccc[n+]1[O-])C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.CON=C(c1ccncc1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.CON=C(c1cnccn1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.CON=C(c1ncc(C(F)(F)F)cc1Cl)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.Cc1cccnc1C(=O)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.Nc1cc(CN2CCC(C(=O)N3CCC(C(=O)c4cnccn4)CC3)CC2)ccn1.Nc1cc(CN2CCC(C(=O)N3CCC(C(=O)c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)ccn1.Nc1cc(CN2CCC(C(=O)N3CCC(C(=O)c4ncccc4F)CC3)CC2)ccn1
InChIInChI=1S/C25H30ClF3N6O2.C24H27ClF3N5O2.C24H32N6O3.C24H32N6O2.C24H31N5O2.C23H28FN5O2.C23H31N7O2.C22H28N6O2/c1-37-33-22(23-20(26)13-19(14-32-23)25(27,28)29)17-5-10-35(11-6-17)24(36)18-3-8-34(9-4-18)15-16-2-7-31-21(30)12-16;25-19-12-18(24(26,27)28)13-31-21(19)22(34)16-4-9-33(10-5-16)23(35)17-2-7-32(8-3-17)14-15-1-6-30-20(29)11-15;1-33-27-23(21-4-2-3-11-30(21)32)19-8-14-29(15-9-19)24(31)20-6-12-28(13-7-20)17-18-5-10-26-22(25)16-18;1-32-28-23(19-3-9-26-10-4-19)20-7-14-30(15-8-20)24(31)21-5-12-29(13-6-21)17-18-2-11-27-22(25)16-18;1-17-3-2-9-27-22(17)23(30)19-7-13-29(14-8-19)24(31)20-5-11-28(12-6-20)16-18-4-10-26-21(25)15-18;24-19-2-1-8-27-21(19)22(30)17-6-12-29(13-7-17)23(31)18-4-10-28(11-5-18)15-16-3-9-26-20(25)14-16;1-32-28-22(20-15-25-8-9-26-20)18-5-12-30(13-6-18)23(31)19-3-10-29(11-4-19)16-17-2-7-27-21(24)14-17;23-20-13-16(1-6-26-20)15-27-9-2-18(3-10-27)22(30)28-11-4-17(5-12-28)21(29)19-14-24-7-8-25-19/h2,7,12-14,17-18H,3-6,8-11,15H2,1H3,(H2,30,31);1,6,11-13,16-17H,2-5,7-10,14H2,(H2,29,30);2-5,10-11,16,19-20H,6-9,12-15,17H2,1H3,(H2,25,26);2-4,9-11,16,20-21H,5-8,12-15,17H2,1H3,(H2,25,27);2-4,9-10,15,19-20H,5-8,11-14,16H2,1H3,(H2,25,26);1-3,8-9,14,17-18H,4-7,10-13,15H2,(H2,25,26);2,7-9,14-15,18-19H,3-6,10-13,16H2,1H3,(H2,24,27);1,6-8,13-14,17-18H,2-5,9-12,15H2,(H2,23,26)/b;;27-23+;;;;;
InChIKeyVAXHJYXLXWNASF-QWIFLKRGSA-N
MW3631.19 g/mol
LogP21.63
Rot. Bonds44

About [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone

[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone (PubChem CID 172937924) has the molecular formula C189H239Cl2F7N46O17 and a molecular weight of 3631.19 g/mol. Its IUPAC name is [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone
PubChem CID172937924
Molecular FormulaC189H239Cl2F7N46O17
Molecular Weight3631.19 g/mol
Exact Mass3627.85
IUPAC Name[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone
SMILESCO/N=C(/c1cccc[n+]1[O-])C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.CON=C(c1ccncc1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.CON=C(c1cnccn1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.CON=C(c1ncc(C(F)(F)F)cc1Cl)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.Cc1cccnc1C(=O)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.Nc1cc(CN2CCC(C(=O)N3CCC(C(=O)c4cnccn4)CC3)CC2)ccn1.Nc1cc(CN2CCC(C(=O)N3CCC(C(=O)c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)ccn1.Nc1cc(CN2CCC(C(=O)N3CCC(C(=O)c4ncccc4F)CC3)CC2)ccn1
InChIInChI=1S/C25H30ClF3N6O2.C24H27ClF3N5O2.C24H32N6O3.C24H32N6O2.C24H31N5O2.C23H28FN5O2.C23H31N7O2.C22H28N6O2/c1-37-33-22(23-20(26)13-19(14-32-23)25(27,28)29)17-5-10-35(11-6-17)24(36)18-3-8-34(9-4-18)15-16-2-7-31-21(30)12-16;25-19-12-18(24(26,27)28)13-31-21(19)22(34)16-4-9-33(10-5-16)23(35)17-2-7-32(8-3-17)14-15-1-6-30-20(29)11-15;1-33-27-23(21-4-2-3-11-30(21)32)19-8-14-29(15-9-19)24(31)20-6-12-28(13-7-20)17-18-5-10-26-22(25)16-18;1-32-28-23(19-3-9-26-10-4-19)20-7-14-30(15-8-20)24(31)21-5-12-29(13-6-21)17-18-2-11-27-22(25)16-18;1-17-3-2-9-27-22(17)23(30)19-7-13-29(14-8-19)24(31)20-5-11-28(12-6-20)16-18-4-10-26-21(25)15-18;24-19-2-1-8-27-21(19)22(30)17-6-12-29(13-7-17)23(31)18-4-10-28(11-5-18)15-16-3-9-26-20(25)14-16;1-32-28-22(20-15-25-8-9-26-20)18-5-12-30(13-6-18)23(31)19-3-10-29(11-4-19)16-17-2-7-27-21(24)14-17;23-20-13-16(1-6-26-20)15-27-9-2-18(3-10-27)22(30)28-11-4-17(5-12-28)21(29)19-14-24-7-8-25-19/h2,7,12-14,17-18H,3-6,8-11,15H2,1H3,(H2,30,31);1,6,11-13,16-17H,2-5,7-10,14H2,(H2,29,30);2-5,10-11,16,19-20H,6-9,12-15,17H2,1H3,(H2,25,26);2-4,9-11,16,20-21H,5-8,12-15,17H2,1H3,(H2,25,27);2-4,9-10,15,19-20H,5-8,11-14,16H2,1H3,(H2,25,26);1-3,8-9,14,17-18H,4-7,10-13,15H2,(H2,25,26);2,7-9,14-15,18-19H,3-6,10-13,16H2,1H3,(H2,24,27);1,6-8,13-14,17-18H,2-5,9-12,15H2,(H2,23,26)/b;;27-23+;;;;;
InChIKeyVAXHJYXLXWNASF-QWIFLKRGSA-N
XLogP21.63
TPSA797.27 Ų
H-Bond Donors8
H-Bond Acceptors54
Rotatable Bonds44
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003631.19
LogP ≤ 521.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone?
The IUPAC name of [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone (CID 172937924) is [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone is CO/N=C(/c1cccc[n+]1[O-])C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.CON=C(c1ccncc1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.CON=C(c1cnccn1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.CON=C(c1ncc(C(F)(F)F)cc1Cl)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.Cc1cccnc1C(=O)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.Nc1cc(CN2CCC(C(=O)N3CCC(C(=O)c4cnccn4)CC3)CC2)ccn1.Nc1cc(CN2CCC(C(=O)N3CCC(C(=O)c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)ccn1.Nc1cc(CN2CCC(C(=O)N3CCC(C(=O)c4ncccc4F)CC3)CC2)ccn1.
What is the InChIKey of [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone?
The InChIKey is VAXHJYXLXWNASF-QWIFLKRGSA-N. The full InChI is InChI=1S/C25H30ClF3N6O2.C24H27ClF3N5O2.C24H32N6O3.C24H32N6O2.C24H31N5O2.C23H28FN5O2.C23H31N7O2.C22H28N6O2/c1-37-33-22(23-20(26)13-19(14-32-23)25(27,28)29)17-5-10-35(11-6-17)24(36)18-3-8-34(9-4-18)15-16-2-7-31-21(30)12-16;25-19-12-18(24(26,27)28)13-31-21(19)22(34)16-4-9-33(10-5-16)23(35)17-2-7-32(8-3-17)14-15-1-6-30-20(29)11-15;1-33-27-23(21-4-2-3-11-30(21)32)19-8-14-29(15-9-19)24(31)20-6-12-28(13-7-20)17-18-5-10-26-22(25)16-18;1-32-28-23(19-3-9-26-10-4-19)20-7-14-30(15-8-20)24(31)21-5-12-29(13-6-21)17-18-2-11-27-22(25)16-18;1-17-3-2-9-27-22(17)23(30)19-7-13-29(14-8-19)24(31)20-5-11-28(12-6-20)16-18-4-10-26-21(25)15-18;24-19-2-1-8-27-21(19)22(30)17-6-12-29(13-7-17)23(31)18-4-10-28(11-5-18)15-16-3-9-26-20(25)14-16;1-32-28-22(20-15-25-8-9-26-20)18-5-12-30(13-6-18)23(31)19-3-10-29(11-4-19)16-17-2-7-27-21(24)14-17;23-20-13-16(1-6-26-20)15-27-9-2-18(3-10-27)22(30)28-11-4-17(5-12-28)21(29)19-14-24-7-8-25-19/h2,7,12-14,17-18H,3-6,8-11,15H2,1H3,(H2,30,31);1,6,11-13,16-17H,2-5,7-10,14H2,(H2,29,30);2-5,10-11,16,19-20H,6-9,12-15,17H2,1H3,(H2,25,26);2-4,9-11,16,20-21H,5-8,12-15,17H2,1H3,(H2,25,27);2-4,9-10,15,19-20H,5-8,11-14,16H2,1H3,(H2,25,26);1-3,8-9,14,17-18H,4-7,10-13,15H2,(H2,25,26);2,7-9,14-15,18-19H,3-6,10-13,16H2,1H3,(H2,24,27);1,6-8,13-14,17-18H,2-5,9-12,15H2,(H2,23,26)/b;;27-23+;;;;;.
What are the key properties of [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone?
[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone has a molecular weight of 3631.19 g/mol, XLogP of 21.63, 44 rotatable bonds, 8 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-fluoro-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(3-methyl-2-pyridinyl)methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyrazin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxycarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-(1-oxidopyridin-1-ium-2-yl)carbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyrazin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-4-ylcarbonimidoyl)piperidin-1-yl]methanone is sourced from PubChem (CID 172937924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).