4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide

C176H213Cl2F2N33O9 — CID 157166701

IUPAC4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
SMILESCC1CN(Cc2ccc(N3CCC(NC(=O)c4ccc(Cl)c(-c5cccnc5)c4)CC3)nc2)CC(C)N1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4ccc(Cl)c(-c5cccnc5)c4)CC3)nc2)CC(C)O1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4ccc(F)c(-c5cccnc5)c4)CC3)nc2)CC(C)N1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4ccc(F)c(-c5cccnc5)c4)CC3)nc2)CC(C)O1.Cc1ccc(C(=O)NC2CCN(c3ccc(CN4CC(C)NC(C)C4)cn3)CC2)cc1-c1cccnc1.Cc1ccc(C(=O)NC2CCN(c3ccc(CN4CC(C)OC(C)C4)cn3)CC2)cc1-c1cccnc1
InChIInChI=1S/C30H38N6O.C30H37N5O2.C29H35ClN6O.C29H34ClN5O2.C29H35FN6O.C29H34FN5O2/c1-21-6-8-25(15-28(21)26-5-4-12-31-17-26)30(37)34-27-10-13-36(14-11-27)29-9-7-24(16-32-29)20-35-18-22(2)33-23(3)19-35;1-21-6-8-25(15-28(21)26-5-4-12-31-17-26)30(36)33-27-10-13-35(14-11-27)29-9-7-24(16-32-29)20-34-18-22(2)37-23(3)19-34;1-20-17-35(18-21(2)33-20)19-22-5-8-28(32-15-22)36-12-9-25(10-13-36)34-29(37)23-6-7-27(30)26(14-23)24-4-3-11-31-16-24;1-20-17-34(18-21(2)37-20)19-22-5-8-28(32-15-22)35-12-9-25(10-13-35)33-29(36)23-6-7-27(30)26(14-23)24-4-3-11-31-16-24;1-20-17-35(18-21(2)33-20)19-22-5-8-28(32-15-22)36-12-9-25(10-13-36)34-29(37)23-6-7-27(30)26(14-23)24-4-3-11-31-16-24;1-20-17-34(18-21(2)37-20)19-22-5-8-28(32-15-22)35-12-9-25(10-13-35)33-29(36)23-6-7-27(30)26(14-23)24-4-3-11-31-16-24/h4-9,12,15-17,22-23,27,33H,10-11,13-14,18-20H2,1-3H3,(H,34,37);4-9,12,15-17,22-23,27H,10-11,13-14,18-20H2,1-3H3,(H,33,36);3-8,11,14-16,20-21,25,33H,9-10,12-13,17-19H2,1-2H3,(H,34,37);3-8,11,14-16,20-21,25H,9-10,12-13,17-19H2,1-2H3,(H,33,36);3-8,11,14-16,20-21,25,33H,9-10,12-13,17-19H2,1-2H3,(H,34,37);3-8,11,14-16,20-21,25H,9-10,12-13,17-19H2,1-2H3,(H,33,36)
InChIKeyAMZNRXLRDVRZOT-UHFFFAOYSA-N
MW3043.76 g/mol
LogP25.83
Rot. Bonds36

About 4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide

4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide (PubChem CID 157166701) has the molecular formula C176H213Cl2F2N33O9 and a molecular weight of 3043.76 g/mol. Its IUPAC name is 4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
PubChem CID157166701
Molecular FormulaC176H213Cl2F2N33O9
Molecular Weight3043.76 g/mol
Exact Mass3040.66
IUPAC Name4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
SMILESCC1CN(Cc2ccc(N3CCC(NC(=O)c4ccc(Cl)c(-c5cccnc5)c4)CC3)nc2)CC(C)N1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4ccc(Cl)c(-c5cccnc5)c4)CC3)nc2)CC(C)O1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4ccc(F)c(-c5cccnc5)c4)CC3)nc2)CC(C)N1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4ccc(F)c(-c5cccnc5)c4)CC3)nc2)CC(C)O1.Cc1ccc(C(=O)NC2CCN(c3ccc(CN4CC(C)NC(C)C4)cn3)CC2)cc1-c1cccnc1.Cc1ccc(C(=O)NC2CCN(c3ccc(CN4CC(C)OC(C)C4)cn3)CC2)cc1-c1cccnc1
InChIInChI=1S/C30H38N6O.C30H37N5O2.C29H35ClN6O.C29H34ClN5O2.C29H35FN6O.C29H34FN5O2/c1-21-6-8-25(15-28(21)26-5-4-12-31-17-26)30(37)34-27-10-13-36(14-11-27)29-9-7-24(16-32-29)20-35-18-22(2)33-23(3)19-35;1-21-6-8-25(15-28(21)26-5-4-12-31-17-26)30(36)33-27-10-13-35(14-11-27)29-9-7-24(16-32-29)20-34-18-22(2)37-23(3)19-34;1-20-17-35(18-21(2)33-20)19-22-5-8-28(32-15-22)36-12-9-25(10-13-36)34-29(37)23-6-7-27(30)26(14-23)24-4-3-11-31-16-24;1-20-17-34(18-21(2)37-20)19-22-5-8-28(32-15-22)35-12-9-25(10-13-35)33-29(36)23-6-7-27(30)26(14-23)24-4-3-11-31-16-24;1-20-17-35(18-21(2)33-20)19-22-5-8-28(32-15-22)36-12-9-25(10-13-36)34-29(37)23-6-7-27(30)26(14-23)24-4-3-11-31-16-24;1-20-17-34(18-21(2)37-20)19-22-5-8-28(32-15-22)35-12-9-25(10-13-35)33-29(36)23-6-7-27(30)26(14-23)24-4-3-11-31-16-24/h4-9,12,15-17,22-23,27,33H,10-11,13-14,18-20H2,1-3H3,(H,34,37);4-9,12,15-17,22-23,27H,10-11,13-14,18-20H2,1-3H3,(H,33,36);3-8,11,14-16,20-21,25,33H,9-10,12-13,17-19H2,1-2H3,(H,34,37);3-8,11,14-16,20-21,25H,9-10,12-13,17-19H2,1-2H3,(H,33,36);3-8,11,14-16,20-21,25,33H,9-10,12-13,17-19H2,1-2H3,(H,34,37);3-8,11,14-16,20-21,25H,9-10,12-13,17-19H2,1-2H3,(H,33,36)
InChIKeyAMZNRXLRDVRZOT-UHFFFAOYSA-N
XLogP25.83
TPSA431.94 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003043.76
LogP ≤ 525.83
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Analyze 4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

US12378224, Example 584
CID 142325786
(4-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}phenyl)-(4-morpholin-4-yl-piperidin-1-yl)methanone
CID 57885893
(3-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}phenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 58327940
2,3-dichloro-N-[1-(7-chloroisoquinolin-1-yl)piperidin-4-yl]benzamide;2,3-dichloro-N-[1-[7-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide
CID 87610958
N-[1-[6,8-bis(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-(5,7-difluoroisoquinolin-1-yl)piperidin-4-yl]benzamide
CID 87611582
N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide
CID 90076728
N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide
CID 90077012
N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide
CID 118154789
N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide
CID 118154797
N-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide
CID 118154800
N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide
CID 118154803
2-chloro-N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 118154805

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide?
The IUPAC name of 4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide (CID 157166701) is 4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide?
The canonical SMILES for 4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide is CC1CN(Cc2ccc(N3CCC(NC(=O)c4ccc(Cl)c(-c5cccnc5)c4)CC3)nc2)CC(C)N1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4ccc(Cl)c(-c5cccnc5)c4)CC3)nc2)CC(C)O1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4ccc(F)c(-c5cccnc5)c4)CC3)nc2)CC(C)N1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4ccc(F)c(-c5cccnc5)c4)CC3)nc2)CC(C)O1.Cc1ccc(C(=O)NC2CCN(c3ccc(CN4CC(C)NC(C)C4)cn3)CC2)cc1-c1cccnc1.Cc1ccc(C(=O)NC2CCN(c3ccc(CN4CC(C)OC(C)C4)cn3)CC2)cc1-c1cccnc1.
What is the InChIKey of 4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide?
The InChIKey is AMZNRXLRDVRZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O.C30H37N5O2.C29H35ClN6O.C29H34ClN5O2.C29H35FN6O.C29H34FN5O2/c1-21-6-8-25(15-28(21)26-5-4-12-31-17-26)30(37)34-27-10-13-36(14-11-27)29-9-7-24(16-32-29)20-35-18-22(2)33-23(3)19-35;1-21-6-8-25(15-28(21)26-5-4-12-31-17-26)30(36)33-27-10-13-35(14-11-27)29-9-7-24(16-32-29)20-34-18-22(2)37-23(3)19-34;1-20-17-35(18-21(2)33-20)19-22-5-8-28(32-15-22)36-12-9-25(10-13-36)34-29(37)23-6-7-27(30)26(14-23)24-4-3-11-31-16-24;1-20-17-34(18-21(2)37-20)19-22-5-8-28(32-15-22)35-12-9-25(10-13-35)33-29(36)23-6-7-27(30)26(14-23)24-4-3-11-31-16-24;1-20-17-35(18-21(2)33-20)19-22-5-8-28(32-15-22)36-12-9-25(10-13-36)34-29(37)23-6-7-27(30)26(14-23)24-4-3-11-31-16-24;1-20-17-34(18-21(2)37-20)19-22-5-8-28(32-15-22)35-12-9-25(10-13-35)33-29(36)23-6-7-27(30)26(14-23)24-4-3-11-31-16-24/h4-9,12,15-17,22-23,27,33H,10-11,13-14,18-20H2,1-3H3,(H,34,37);4-9,12,15-17,22-23,27H,10-11,13-14,18-20H2,1-3H3,(H,33,36);3-8,11,14-16,20-21,25,33H,9-10,12-13,17-19H2,1-2H3,(H,34,37);3-8,11,14-16,20-21,25H,9-10,12-13,17-19H2,1-2H3,(H,33,36);3-8,11,14-16,20-21,25,33H,9-10,12-13,17-19H2,1-2H3,(H,34,37);3-8,11,14-16,20-21,25H,9-10,12-13,17-19H2,1-2H3,(H,33,36).
What are the key properties of 4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide?
4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide has a molecular weight of 3043.76 g/mol, XLogP of 25.83, 36 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 157166701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).