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

C176H213Cl2F2N33O9 — CID 158414593

IUPAC2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-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]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide
SMILESCC1CN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4Cl)CC3)nc2)CC(C)N1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4Cl)CC3)nc2)CC(C)O1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4F)CC3)nc2)CC(C)N1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4F)CC3)nc2)CC(C)O1.Cc1c(C(=O)NC2CCN(c3ccc(CN4CC(C)NC(C)C4)cn3)CC2)cccc1-c1cccnc1.Cc1c(C(=O)NC2CCN(c3ccc(CN4CC(C)OC(C)C4)cn3)CC2)cccc1-c1cccnc1
InChIInChI=1S/C30H38N6O.C30H37N5O2.C29H35ClN6O.C29H34ClN5O2.C29H35FN6O.C29H34FN5O2/c1-21-18-35(19-22(2)33-21)20-24-9-10-29(32-16-24)36-14-11-26(12-15-36)34-30(37)28-8-4-7-27(23(28)3)25-6-5-13-31-17-25;1-21-18-34(19-22(2)37-21)20-24-9-10-29(32-16-24)35-14-11-26(12-15-35)33-30(36)28-8-4-7-27(23(28)3)25-6-5-13-31-17-25;1-20-17-35(18-21(2)33-20)19-22-8-9-27(32-15-22)36-13-10-24(11-14-36)34-29(37)26-7-3-6-25(28(26)30)23-5-4-12-31-16-23;1-20-17-34(18-21(2)37-20)19-22-8-9-27(32-15-22)35-13-10-24(11-14-35)33-29(36)26-7-3-6-25(28(26)30)23-5-4-12-31-16-23;1-20-17-35(18-21(2)33-20)19-22-8-9-27(32-15-22)36-13-10-24(11-14-36)34-29(37)26-7-3-6-25(28(26)30)23-5-4-12-31-16-23;1-20-17-34(18-21(2)37-20)19-22-8-9-27(32-15-22)35-13-10-24(11-14-35)33-29(36)26-7-3-6-25(28(26)30)23-5-4-12-31-16-23/h4-10,13,16-17,21-22,26,33H,11-12,14-15,18-20H2,1-3H3,(H,34,37);4-10,13,16-17,21-22,26H,11-12,14-15,18-20H2,1-3H3,(H,33,36);3-9,12,15-16,20-21,24,33H,10-11,13-14,17-19H2,1-2H3,(H,34,37);3-9,12,15-16,20-21,24H,10-11,13-14,17-19H2,1-2H3,(H,33,36);3-9,12,15-16,20-21,24,33H,10-11,13-14,17-19H2,1-2H3,(H,34,37);3-9,12,15-16,20-21,24H,10-11,13-14,17-19H2,1-2H3,(H,33,36)
InChIKeyGZSPDGFGUUCHOU-UHFFFAOYSA-N
MW3043.76 g/mol
LogP25.83
Rot. Bonds36

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

2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-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]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide (PubChem CID 158414593) has the molecular formula C176H213Cl2F2N33O9 and a molecular weight of 3043.76 g/mol. Its IUPAC name is 2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-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]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-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]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide
PubChem CID158414593
Molecular FormulaC176H213Cl2F2N33O9
Molecular Weight3043.76 g/mol
Exact Mass3040.66
IUPAC Name2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-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]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide
SMILESCC1CN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4Cl)CC3)nc2)CC(C)N1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4Cl)CC3)nc2)CC(C)O1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4F)CC3)nc2)CC(C)N1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4F)CC3)nc2)CC(C)O1.Cc1c(C(=O)NC2CCN(c3ccc(CN4CC(C)NC(C)C4)cn3)CC2)cccc1-c1cccnc1.Cc1c(C(=O)NC2CCN(c3ccc(CN4CC(C)OC(C)C4)cn3)CC2)cccc1-c1cccnc1
InChIInChI=1S/C30H38N6O.C30H37N5O2.C29H35ClN6O.C29H34ClN5O2.C29H35FN6O.C29H34FN5O2/c1-21-18-35(19-22(2)33-21)20-24-9-10-29(32-16-24)36-14-11-26(12-15-36)34-30(37)28-8-4-7-27(23(28)3)25-6-5-13-31-17-25;1-21-18-34(19-22(2)37-21)20-24-9-10-29(32-16-24)35-14-11-26(12-15-35)33-30(36)28-8-4-7-27(23(28)3)25-6-5-13-31-17-25;1-20-17-35(18-21(2)33-20)19-22-8-9-27(32-15-22)36-13-10-24(11-14-36)34-29(37)26-7-3-6-25(28(26)30)23-5-4-12-31-16-23;1-20-17-34(18-21(2)37-20)19-22-8-9-27(32-15-22)35-13-10-24(11-14-35)33-29(36)26-7-3-6-25(28(26)30)23-5-4-12-31-16-23;1-20-17-35(18-21(2)33-20)19-22-8-9-27(32-15-22)36-13-10-24(11-14-36)34-29(37)26-7-3-6-25(28(26)30)23-5-4-12-31-16-23;1-20-17-34(18-21(2)37-20)19-22-8-9-27(32-15-22)35-13-10-24(11-14-35)33-29(36)26-7-3-6-25(28(26)30)23-5-4-12-31-16-23/h4-10,13,16-17,21-22,26,33H,11-12,14-15,18-20H2,1-3H3,(H,34,37);4-10,13,16-17,21-22,26H,11-12,14-15,18-20H2,1-3H3,(H,33,36);3-9,12,15-16,20-21,24,33H,10-11,13-14,17-19H2,1-2H3,(H,34,37);3-9,12,15-16,20-21,24H,10-11,13-14,17-19H2,1-2H3,(H,33,36);3-9,12,15-16,20-21,24,33H,10-11,13-14,17-19H2,1-2H3,(H,34,37);3-9,12,15-16,20-21,24H,10-11,13-14,17-19H2,1-2H3,(H,33,36)
InChIKeyGZSPDGFGUUCHOU-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 2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-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]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-N-[1-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 118154835
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-[[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylphenyl)benzamide
CID 118154886
2-chloro-N-[1-[5-(morpholin-4-ylmethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 118154847
2-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 118154832
N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide
CID 90076905
N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
CID 118154855
2-methyl-3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 73438509
2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)benzamide
CID 118154773
tert-butyl N-[1-[5-[[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(2-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;tert-butyl N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]carbamate;2-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-fluoro-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;2-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide;4-methyl-3-(4-methylphenyl)-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 162109717
N-[1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzamide
CID 118155414
2-fluoro-3-(4-methylphenyl)-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide
CID 118154878

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-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]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide?
The IUPAC name of 2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-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]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide (CID 158414593) is 2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-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]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-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]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide?
The canonical SMILES for 2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-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]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide is CC1CN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4Cl)CC3)nc2)CC(C)N1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4Cl)CC3)nc2)CC(C)O1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4F)CC3)nc2)CC(C)N1.CC1CN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4F)CC3)nc2)CC(C)O1.Cc1c(C(=O)NC2CCN(c3ccc(CN4CC(C)NC(C)C4)cn3)CC2)cccc1-c1cccnc1.Cc1c(C(=O)NC2CCN(c3ccc(CN4CC(C)OC(C)C4)cn3)CC2)cccc1-c1cccnc1.
What is the InChIKey of 2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-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]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide?
The InChIKey is GZSPDGFGUUCHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O.C30H37N5O2.C29H35ClN6O.C29H34ClN5O2.C29H35FN6O.C29H34FN5O2/c1-21-18-35(19-22(2)33-21)20-24-9-10-29(32-16-24)36-14-11-26(12-15-36)34-30(37)28-8-4-7-27(23(28)3)25-6-5-13-31-17-25;1-21-18-34(19-22(2)37-21)20-24-9-10-29(32-16-24)35-14-11-26(12-15-35)33-30(36)28-8-4-7-27(23(28)3)25-6-5-13-31-17-25;1-20-17-35(18-21(2)33-20)19-22-8-9-27(32-15-22)36-13-10-24(11-14-36)34-29(37)26-7-3-6-25(28(26)30)23-5-4-12-31-16-23;1-20-17-34(18-21(2)37-20)19-22-8-9-27(32-15-22)35-13-10-24(11-14-35)33-29(36)26-7-3-6-25(28(26)30)23-5-4-12-31-16-23;1-20-17-35(18-21(2)33-20)19-22-8-9-27(32-15-22)36-13-10-24(11-14-36)34-29(37)26-7-3-6-25(28(26)30)23-5-4-12-31-16-23;1-20-17-34(18-21(2)37-20)19-22-8-9-27(32-15-22)35-13-10-24(11-14-35)33-29(36)26-7-3-6-25(28(26)30)23-5-4-12-31-16-23/h4-10,13,16-17,21-22,26,33H,11-12,14-15,18-20H2,1-3H3,(H,34,37);4-10,13,16-17,21-22,26H,11-12,14-15,18-20H2,1-3H3,(H,33,36);3-9,12,15-16,20-21,24,33H,10-11,13-14,17-19H2,1-2H3,(H,34,37);3-9,12,15-16,20-21,24H,10-11,13-14,17-19H2,1-2H3,(H,33,36);3-9,12,15-16,20-21,24,33H,10-11,13-14,17-19H2,1-2H3,(H,34,37);3-9,12,15-16,20-21,24H,10-11,13-14,17-19H2,1-2H3,(H,33,36).
What are the key properties of 2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-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]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide?
2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-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]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-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 2-chloro-N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-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]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide;N-[1-[5-[(3,5-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]piperidin-4-yl]-2-methyl-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 158414593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).