5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide

C238H270F4N30O22 — CID 157409305

IUPAC5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide
SMILESCC(=O)CCCNCc1cnc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(C)c(CCCCNC(C)=O)cn4)c3C)c2C)cc1C.Cc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(C)c(CN5CCC(F)(F)C5)cn4)c3C)c2C)ncc1CN1CCC(F)(F)C1.Cc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(C)c(CN5CCNC(=O)C5)cn4)c3C)c2C)ncc1CN1CCNC(=O)C1.Cc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(C)c(CN5CC[C@@H](O)C5)cn4)c3C)c2C)ncc1CN1CC[C@@H](O)C1.Cc1cc(C(=O)Nc2cccc(-c3cccc(CC(=O)c4cc(C)c(CNC5CC5)cn4)c3C)c2C)ncc1CCC1CC1.Cc1cc(C(=O)Nc2cccc(-c3cccc(CC(=O)c4cc(C)c(CN[C@@H]5CCOC[C@H]5O)cn4)c3C)c2C)ncc1CC[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C42H50N4O6.C41H49N5O4.C39H41F4N5O2.C39H43N7O4.C39H45N5O4.C38H42N4O2/c1-25-18-38(45-20-31(25)12-11-29-13-15-51-23-40(29)48)42(50)46-35-10-6-9-34(28(35)4)33-8-5-7-30(27(33)3)19-39(47)37-17-26(2)32(22-44-37)21-43-36-14-16-52-24-41(36)49;1-26-21-39(45-24-33(26)13-7-8-19-43-31(6)48)41(50)46-37-17-10-16-36(30(37)5)35-15-9-14-32(29(35)4)22-40(49)38-20-27(2)34(25-44-38)23-42-18-11-12-28(3)47;1-24-15-34(44-18-29(24)20-47-13-11-38(40,41)22-47)36(49)17-28-7-5-8-31(26(28)3)32-9-6-10-33(27(32)4)46-37(50)35-16-25(2)30(19-45-35)21-48-14-12-39(42,43)23-48;1-24-15-34(42-18-29(24)20-45-13-11-40-37(48)22-45)36(47)17-28-7-5-8-31(26(28)3)32-9-6-10-33(27(32)4)44-39(50)35-16-25(2)30(19-43-35)21-46-14-12-41-38(49)23-46;1-24-15-36(40-18-29(24)20-43-13-11-31(45)22-43)38(47)17-28-7-5-8-33(26(28)3)34-9-6-10-35(27(34)4)42-39(48)37-16-25(2)30(19-41-37)21-44-14-12-32(46)23-44;1-23-18-36(41-20-29(23)14-13-27-11-12-27)38(44)42-34-10-6-9-33(26(34)4)32-8-5-7-28(25(32)3)19-37(43)35-17-24(2)30(22-40-35)21-39-31-15-16-31/h5-10,17-18,20,22,29,36,40-41,43,48-49H,11-16,19,21,23-24H2,1-4H3,(H,46,50);9-10,14-17,20-21,24-25,42H,7-8,11-13,18-19,22-23H2,1-6H3,(H,43,48)(H,46,50);5-10,15-16,18-19H,11-14,17,20-23H2,1-4H3,(H,46,50);5-10,15-16,18-19H,11-14,17,20-23H2,1-4H3,(H,40,48)(H,41,49)(H,44,50);5-10,15-16,18-19,31-32,45-46H,11-14,17,20-23H2,1-4H3,(H,42,48);5-10,17-18,20,22,27,31,39H,11-16,19,21H2,1-4H3,(H,42,44)/t29-,36-,40-,41-;;;;31-,32-;/m1...1./s1
InChIKeyBOBZZMRZLHRBFN-ABTUXEBWSA-N
MW3978.96 g/mol
LogP37.09
Rot. Bonds71

About 5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide

5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide (PubChem CID 157409305) has the molecular formula C238H270F4N30O22 and a molecular weight of 3978.96 g/mol. Its IUPAC name is 5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide
PubChem CID157409305
Molecular FormulaC238H270F4N30O22
Molecular Weight3978.96 g/mol
Exact Mass3976.09
IUPAC Name5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide
SMILESCC(=O)CCCNCc1cnc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(C)c(CCCCNC(C)=O)cn4)c3C)c2C)cc1C.Cc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(C)c(CN5CCC(F)(F)C5)cn4)c3C)c2C)ncc1CN1CCC(F)(F)C1.Cc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(C)c(CN5CCNC(=O)C5)cn4)c3C)c2C)ncc1CN1CCNC(=O)C1.Cc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(C)c(CN5CC[C@@H](O)C5)cn4)c3C)c2C)ncc1CN1CC[C@@H](O)C1.Cc1cc(C(=O)Nc2cccc(-c3cccc(CC(=O)c4cc(C)c(CNC5CC5)cn4)c3C)c2C)ncc1CCC1CC1.Cc1cc(C(=O)Nc2cccc(-c3cccc(CC(=O)c4cc(C)c(CN[C@@H]5CCOC[C@H]5O)cn4)c3C)c2C)ncc1CC[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C42H50N4O6.C41H49N5O4.C39H41F4N5O2.C39H43N7O4.C39H45N5O4.C38H42N4O2/c1-25-18-38(45-20-31(25)12-11-29-13-15-51-23-40(29)48)42(50)46-35-10-6-9-34(28(35)4)33-8-5-7-30(27(33)3)19-39(47)37-17-26(2)32(22-44-37)21-43-36-14-16-52-24-41(36)49;1-26-21-39(45-24-33(26)13-7-8-19-43-31(6)48)41(50)46-37-17-10-16-36(30(37)5)35-15-9-14-32(29(35)4)22-40(49)38-20-27(2)34(25-44-38)23-42-18-11-12-28(3)47;1-24-15-34(44-18-29(24)20-47-13-11-38(40,41)22-47)36(49)17-28-7-5-8-31(26(28)3)32-9-6-10-33(27(32)4)46-37(50)35-16-25(2)30(19-45-35)21-48-14-12-39(42,43)23-48;1-24-15-34(42-18-29(24)20-45-13-11-40-37(48)22-45)36(47)17-28-7-5-8-31(26(28)3)32-9-6-10-33(27(32)4)44-39(50)35-16-25(2)30(19-43-35)21-46-14-12-41-38(49)23-46;1-24-15-36(40-18-29(24)20-43-13-11-31(45)22-43)38(47)17-28-7-5-8-33(26(28)3)34-9-6-10-35(27(34)4)42-39(48)37-16-25(2)30(19-41-37)21-44-14-12-32(46)23-44;1-23-18-36(41-20-29(23)14-13-27-11-12-27)38(44)42-34-10-6-9-33(26(34)4)32-8-5-7-28(25(32)3)19-37(43)35-17-24(2)30(22-40-35)21-39-31-15-16-31/h5-10,17-18,20,22,29,36,40-41,43,48-49H,11-16,19,21,23-24H2,1-4H3,(H,46,50);9-10,14-17,20-21,24-25,42H,7-8,11-13,18-19,22-23H2,1-6H3,(H,43,48)(H,46,50);5-10,15-16,18-19H,11-14,17,20-23H2,1-4H3,(H,46,50);5-10,15-16,18-19H,11-14,17,20-23H2,1-4H3,(H,40,48)(H,41,49)(H,44,50);5-10,15-16,18-19,31-32,45-46H,11-14,17,20-23H2,1-4H3,(H,42,48);5-10,17-18,20,22,27,31,39H,11-16,19,21H2,1-4H3,(H,42,44)/t29-,36-,40-,41-;;;;31-,32-;/m1...1./s1
InChIKeyBOBZZMRZLHRBFN-ABTUXEBWSA-N
XLogP37.09
TPSA690.98 Ų
H-Bond Donors16
H-Bond Acceptors43
Rotatable Bonds71
Heavy Atoms294
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003978.96
LogP ≤ 537.09
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1043

Analyze 5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide (CID 157409305) is 5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide is CC(=O)CCCNCc1cnc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(C)c(CCCCNC(C)=O)cn4)c3C)c2C)cc1C.Cc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(C)c(CN5CCC(F)(F)C5)cn4)c3C)c2C)ncc1CN1CCC(F)(F)C1.Cc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(C)c(CN5CCNC(=O)C5)cn4)c3C)c2C)ncc1CN1CCNC(=O)C1.Cc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(C)c(CN5CC[C@@H](O)C5)cn4)c3C)c2C)ncc1CN1CC[C@@H](O)C1.Cc1cc(C(=O)Nc2cccc(-c3cccc(CC(=O)c4cc(C)c(CNC5CC5)cn4)c3C)c2C)ncc1CCC1CC1.Cc1cc(C(=O)Nc2cccc(-c3cccc(CC(=O)c4cc(C)c(CN[C@@H]5CCOC[C@H]5O)cn4)c3C)c2C)ncc1CC[C@@H]1CCOC[C@H]1O.
What is the InChIKey of 5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide?
The InChIKey is BOBZZMRZLHRBFN-ABTUXEBWSA-N. The full InChI is InChI=1S/C42H50N4O6.C41H49N5O4.C39H41F4N5O2.C39H43N7O4.C39H45N5O4.C38H42N4O2/c1-25-18-38(45-20-31(25)12-11-29-13-15-51-23-40(29)48)42(50)46-35-10-6-9-34(28(35)4)33-8-5-7-30(27(33)3)19-39(47)37-17-26(2)32(22-44-37)21-43-36-14-16-52-24-41(36)49;1-26-21-39(45-24-33(26)13-7-8-19-43-31(6)48)41(50)46-37-17-10-16-36(30(37)5)35-15-9-14-32(29(35)4)22-40(49)38-20-27(2)34(25-44-38)23-42-18-11-12-28(3)47;1-24-15-34(44-18-29(24)20-47-13-11-38(40,41)22-47)36(49)17-28-7-5-8-31(26(28)3)32-9-6-10-33(27(32)4)46-37(50)35-16-25(2)30(19-45-35)21-48-14-12-39(42,43)23-48;1-24-15-34(42-18-29(24)20-45-13-11-40-37(48)22-45)36(47)17-28-7-5-8-31(26(28)3)32-9-6-10-33(27(32)4)44-39(50)35-16-25(2)30(19-43-35)21-46-14-12-41-38(49)23-46;1-24-15-36(40-18-29(24)20-43-13-11-31(45)22-43)38(47)17-28-7-5-8-33(26(28)3)34-9-6-10-35(27(34)4)42-39(48)37-16-25(2)30(19-41-37)21-44-14-12-32(46)23-44;1-23-18-36(41-20-29(23)14-13-27-11-12-27)38(44)42-34-10-6-9-33(26(34)4)32-8-5-7-28(25(32)3)19-37(43)35-17-24(2)30(22-40-35)21-39-31-15-16-31/h5-10,17-18,20,22,29,36,40-41,43,48-49H,11-16,19,21,23-24H2,1-4H3,(H,46,50);9-10,14-17,20-21,24-25,42H,7-8,11-13,18-19,22-23H2,1-6H3,(H,43,48)(H,46,50);5-10,15-16,18-19H,11-14,17,20-23H2,1-4H3,(H,46,50);5-10,15-16,18-19H,11-14,17,20-23H2,1-4H3,(H,40,48)(H,41,49)(H,44,50);5-10,15-16,18-19,31-32,45-46H,11-14,17,20-23H2,1-4H3,(H,42,48);5-10,17-18,20,22,27,31,39H,11-16,19,21H2,1-4H3,(H,42,44)/t29-,36-,40-,41-;;;;31-,32-;/m1...1./s1.
What are the key properties of 5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide?
5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide has a molecular weight of 3978.96 g/mol, XLogP of 37.09, 71 rotatable bonds, 16 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidobutyl)-4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(4-oxopentylamino)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[2-[5-[(cyclopropylamino)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(2-cyclopropylethyl)-4-methylpyridine-2-carboxamide;5-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[3-[3-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;N-[3-[3-[2-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-[(3S,4R)-3-hydroxyoxan-4-yl]ethyl]-4-methylpyridine-2-carboxamide;5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methyl-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide;4-methyl-N-[2-methyl-3-[2-methyl-3-[2-[4-methyl-5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]-2-oxoethyl]phenyl]phenyl]-5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 157409305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).