4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide

C222H258Cl2F4N44O10 — CID 159859792

IUPAC4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
SMILESCN1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5cccnc5)c4F)CC3)cn2)CC1.Cc1c(C(=O)NC2CCN(Cc3ccc(N4CCCCC4)nc3)CC2)cccc1-c1cccnc1.Cc1c(C(=O)NC2CCN(Cc3ccc(N4CCN(C)CC4)nc3)CC2)cccc1-c1cccnc1.O=C(NC1CCN(Cc2ccc(N3CCCCC3)nc2)CC1)c1cccc(-c2cccnc2)c1F.O=C(NC1CCN(Cc2ccc(N3CCNCC3)nc2)CC1)c1ccc(Cl)c(-c2cccnc2)c1.O=C(NC1CCN(Cc2ccc(N3CCNCC3)nc2)CC1)c1ccc(F)c(-c2cccnc2)c1.O=C(NC1CCN(Cc2ccc(N3CCOCC3)nc2)CC1)c1ccc(Cl)c(-c2cccnc2)c1.O=C(NC1CCN(Cc2ccc(N3CCOCC3)nc2)CC1)c1ccc(F)c(-c2cccnc2)c1
InChIInChI=1S/C29H36N6O.C29H35N5O.C28H33FN6O.C28H32FN5O.C27H31ClN6O.C27H30ClN5O2.C27H31FN6O.C27H30FN5O2/c1-22-26(24-5-4-12-30-20-24)6-3-7-27(22)29(36)32-25-10-13-34(14-11-25)21-23-8-9-28(31-19-23)35-17-15-33(2)16-18-35;1-22-26(24-7-6-14-30-20-24)8-5-9-27(22)29(35)32-25-12-17-33(18-13-25)21-23-10-11-28(31-19-23)34-15-3-2-4-16-34;1-33-14-16-35(17-15-33)26-8-7-21(18-31-26)20-34-12-9-23(10-13-34)32-28(36)25-6-2-5-24(27(25)29)22-4-3-11-30-19-22;29-27-24(22-6-5-13-30-19-22)7-4-8-25(27)28(35)32-23-11-16-33(17-12-23)20-21-9-10-26(31-18-21)34-14-2-1-3-15-34;28-25-5-4-21(16-24(25)22-2-1-9-30-18-22)27(35)32-23-7-12-33(13-8-23)19-20-3-6-26(31-17-20)34-14-10-29-11-15-34;28-25-5-4-21(16-24(25)22-2-1-9-29-18-22)27(34)31-23-7-10-32(11-8-23)19-20-3-6-26(30-17-20)33-12-14-35-15-13-33;28-25-5-4-21(16-24(25)22-2-1-9-30-18-22)27(35)32-23-7-12-33(13-8-23)19-20-3-6-26(31-17-20)34-14-10-29-11-15-34;28-25-5-4-21(16-24(25)22-2-1-9-29-18-22)27(34)31-23-7-10-32(11-8-23)19-20-3-6-26(30-17-20)33-12-14-35-15-13-33/h3-9,12,19-20,25H,10-11,13-18,21H2,1-2H3,(H,32,36);5-11,14,19-20,25H,2-4,12-13,15-18,21H2,1H3,(H,32,35);2-8,11,18-19,23H,9-10,12-17,20H2,1H3,(H,32,36);4-10,13,18-19,23H,1-3,11-12,14-17,20H2,(H,32,35);1-6,9,16-18,23,29H,7-8,10-15,19H2,(H,32,35);1-6,9,16-18,23H,7-8,10-15,19H2,(H,31,34);1-6,9,16-18,23,29H,7-8,10-15,19H2,(H,32,35);1-6,9,16-18,23H,7-8,10-15,19H2,(H,31,34)
InChIKeyNQZORBBUIUTLRA-UHFFFAOYSA-N
MW3849.70 g/mol
LogP30.76
Rot. Bonds48

About 4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide

4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide (PubChem CID 159859792) has the molecular formula C222H258Cl2F4N44O10 and a molecular weight of 3849.70 g/mol. Its IUPAC name is 4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
PubChem CID159859792
Molecular FormulaC222H258Cl2F4N44O10
Molecular Weight3849.70 g/mol
Exact Mass3846.03
IUPAC Name4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
SMILESCN1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5cccnc5)c4F)CC3)cn2)CC1.Cc1c(C(=O)NC2CCN(Cc3ccc(N4CCCCC4)nc3)CC2)cccc1-c1cccnc1.Cc1c(C(=O)NC2CCN(Cc3ccc(N4CCN(C)CC4)nc3)CC2)cccc1-c1cccnc1.O=C(NC1CCN(Cc2ccc(N3CCCCC3)nc2)CC1)c1cccc(-c2cccnc2)c1F.O=C(NC1CCN(Cc2ccc(N3CCNCC3)nc2)CC1)c1ccc(Cl)c(-c2cccnc2)c1.O=C(NC1CCN(Cc2ccc(N3CCNCC3)nc2)CC1)c1ccc(F)c(-c2cccnc2)c1.O=C(NC1CCN(Cc2ccc(N3CCOCC3)nc2)CC1)c1ccc(Cl)c(-c2cccnc2)c1.O=C(NC1CCN(Cc2ccc(N3CCOCC3)nc2)CC1)c1ccc(F)c(-c2cccnc2)c1
InChIInChI=1S/C29H36N6O.C29H35N5O.C28H33FN6O.C28H32FN5O.C27H31ClN6O.C27H30ClN5O2.C27H31FN6O.C27H30FN5O2/c1-22-26(24-5-4-12-30-20-24)6-3-7-27(22)29(36)32-25-10-13-34(14-11-25)21-23-8-9-28(31-19-23)35-17-15-33(2)16-18-35;1-22-26(24-7-6-14-30-20-24)8-5-9-27(22)29(35)32-25-12-17-33(18-13-25)21-23-10-11-28(31-19-23)34-15-3-2-4-16-34;1-33-14-16-35(17-15-33)26-8-7-21(18-31-26)20-34-12-9-23(10-13-34)32-28(36)25-6-2-5-24(27(25)29)22-4-3-11-30-19-22;29-27-24(22-6-5-13-30-19-22)7-4-8-25(27)28(35)32-23-11-16-33(17-12-23)20-21-9-10-26(31-18-21)34-14-2-1-3-15-34;28-25-5-4-21(16-24(25)22-2-1-9-30-18-22)27(35)32-23-7-12-33(13-8-23)19-20-3-6-26(31-17-20)34-14-10-29-11-15-34;28-25-5-4-21(16-24(25)22-2-1-9-29-18-22)27(34)31-23-7-10-32(11-8-23)19-20-3-6-26(30-17-20)33-12-14-35-15-13-33;28-25-5-4-21(16-24(25)22-2-1-9-30-18-22)27(35)32-23-7-12-33(13-8-23)19-20-3-6-26(31-17-20)34-14-10-29-11-15-34;28-25-5-4-21(16-24(25)22-2-1-9-29-18-22)27(34)31-23-7-10-32(11-8-23)19-20-3-6-26(30-17-20)33-12-14-35-15-13-33/h3-9,12,19-20,25H,10-11,13-18,21H2,1-2H3,(H,32,36);5-11,14,19-20,25H,2-4,12-13,15-18,21H2,1H3,(H,32,35);2-8,11,18-19,23H,9-10,12-17,20H2,1H3,(H,32,36);4-10,13,18-19,23H,1-3,11-12,14-17,20H2,(H,32,35);1-6,9,16-18,23,29H,7-8,10-15,19H2,(H,32,35);1-6,9,16-18,23H,7-8,10-15,19H2,(H,31,34);1-6,9,16-18,23,29H,7-8,10-15,19H2,(H,32,35);1-6,9,16-18,23H,7-8,10-15,19H2,(H,31,34)
InChIKeyNQZORBBUIUTLRA-UHFFFAOYSA-N
XLogP30.76
TPSA539.88 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds48
Heavy Atoms282
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003849.70
LogP ≤ 530.76
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

Analyze 4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
CID 66550113
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
N-[4-[2-[N-[6-(2-chloro-3-pyridinyl)pyrimidin-4-yl]-4-methyl-3-[[3-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]amino]anilino]ethyl]morpholin-3-yl]-2-(trifluoromethyl)benzamide
CID 87583223
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-[4-chloro-3-[2-[2-(dimethylamino)ethylamino]-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide;N-[4-chloro-3-[2-[2-(dimethylamino)ethylamino]-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 87671281
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide?
The IUPAC name of 4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide (CID 159859792) is 4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide?
The canonical SMILES for 4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide is CN1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5cccnc5)c4F)CC3)cn2)CC1.Cc1c(C(=O)NC2CCN(Cc3ccc(N4CCCCC4)nc3)CC2)cccc1-c1cccnc1.Cc1c(C(=O)NC2CCN(Cc3ccc(N4CCN(C)CC4)nc3)CC2)cccc1-c1cccnc1.O=C(NC1CCN(Cc2ccc(N3CCCCC3)nc2)CC1)c1cccc(-c2cccnc2)c1F.O=C(NC1CCN(Cc2ccc(N3CCNCC3)nc2)CC1)c1ccc(Cl)c(-c2cccnc2)c1.O=C(NC1CCN(Cc2ccc(N3CCNCC3)nc2)CC1)c1ccc(F)c(-c2cccnc2)c1.O=C(NC1CCN(Cc2ccc(N3CCOCC3)nc2)CC1)c1ccc(Cl)c(-c2cccnc2)c1.O=C(NC1CCN(Cc2ccc(N3CCOCC3)nc2)CC1)c1ccc(F)c(-c2cccnc2)c1.
What is the InChIKey of 4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide?
The InChIKey is NQZORBBUIUTLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O.C29H35N5O.C28H33FN6O.C28H32FN5O.C27H31ClN6O.C27H30ClN5O2.C27H31FN6O.C27H30FN5O2/c1-22-26(24-5-4-12-30-20-24)6-3-7-27(22)29(36)32-25-10-13-34(14-11-25)21-23-8-9-28(31-19-23)35-17-15-33(2)16-18-35;1-22-26(24-7-6-14-30-20-24)8-5-9-27(22)29(35)32-25-12-17-33(18-13-25)21-23-10-11-28(31-19-23)34-15-3-2-4-16-34;1-33-14-16-35(17-15-33)26-8-7-21(18-31-26)20-34-12-9-23(10-13-34)32-28(36)25-6-2-5-24(27(25)29)22-4-3-11-30-19-22;29-27-24(22-6-5-13-30-19-22)7-4-8-25(27)28(35)32-23-11-16-33(17-12-23)20-21-9-10-26(31-18-21)34-14-2-1-3-15-34;28-25-5-4-21(16-24(25)22-2-1-9-30-18-22)27(35)32-23-7-12-33(13-8-23)19-20-3-6-26(31-17-20)34-14-10-29-11-15-34;28-25-5-4-21(16-24(25)22-2-1-9-29-18-22)27(34)31-23-7-10-32(11-8-23)19-20-3-6-26(30-17-20)33-12-14-35-15-13-33;28-25-5-4-21(16-24(25)22-2-1-9-30-18-22)27(35)32-23-7-12-33(13-8-23)19-20-3-6-26(31-17-20)34-14-10-29-11-15-34;28-25-5-4-21(16-24(25)22-2-1-9-29-18-22)27(34)31-23-7-10-32(11-8-23)19-20-3-6-26(30-17-20)33-12-14-35-15-13-33/h3-9,12,19-20,25H,10-11,13-18,21H2,1-2H3,(H,32,36);5-11,14,19-20,25H,2-4,12-13,15-18,21H2,1H3,(H,32,35);2-8,11,18-19,23H,9-10,12-17,20H2,1H3,(H,32,36);4-10,13,18-19,23H,1-3,11-12,14-17,20H2,(H,32,35);1-6,9,16-18,23,29H,7-8,10-15,19H2,(H,32,35);1-6,9,16-18,23H,7-8,10-15,19H2,(H,31,34);1-6,9,16-18,23,29H,7-8,10-15,19H2,(H,32,35);1-6,9,16-18,23H,7-8,10-15,19H2,(H,31,34).
What are the key properties of 4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide?
4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide has a molecular weight of 3849.70 g/mol, XLogP of 30.76, 48 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;2-methyl-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 159859792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).