2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide

C209H239Cl2F3N24O21 — CID 158405821

IUPAC2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1CNC(=O)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cn1.CCc1cc(OCCN2CCN(C)CC2)ccc1-c1ccc(CC(=O)NCc2cccc(C)c2)nc1.CCc1cc(OCCN2CCOCC2)ccc1-c1ccc(CC(=O)NCc2cccc(C)c2)nc1.CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4OCc4ccccc4)nc3)c(F)c2)CC1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3Cl)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3Cl)cn2)c1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cn1)NCc1ccccc1OCc1ccccc1
InChIInChI=1S/C34H37FN4O3.C33H34FN3O4.C30H38N4O2.C29H35N3O3.C28H33ClN4O2.C28H32FN3O4.C27H30ClN3O3/c1-38-15-17-39(18-16-38)19-20-41-30-13-14-31(32(35)22-30)27-11-12-29(36-23-27)21-34(40)37-24-28-9-5-6-10-33(28)42-25-26-7-3-2-4-8-26;34-31-21-29(40-19-16-37-14-17-39-18-15-37)12-13-30(31)26-10-11-28(35-22-26)20-33(38)36-23-27-8-4-5-9-32(27)41-24-25-6-2-1-3-7-25;1-4-25-19-28(36-17-16-34-14-12-33(3)13-15-34)10-11-29(25)26-8-9-27(31-22-26)20-30(35)32-21-24-7-5-6-23(2)18-24;1-3-24-18-27(35-16-13-32-11-14-34-15-12-32)9-10-28(24)25-7-8-26(30-21-25)19-29(33)31-20-23-6-4-5-22(2)17-23;1-21-4-3-5-22(16-21)19-31-28(34)17-24-7-6-23(20-30-24)26-9-8-25(18-27(26)29)35-15-14-33-12-10-32(2)11-13-33;1-2-35-27-6-4-3-5-22(27)20-31-28(33)17-23-8-7-21(19-30-23)25-10-9-24(18-26(25)29)36-16-13-32-11-14-34-15-12-32;1-20-3-2-4-21(15-20)18-30-27(32)16-23-6-5-22(19-29-23)25-8-7-24(17-26(25)28)34-14-11-31-9-12-33-13-10-31/h2-14,22-23H,15-21,24-25H2,1H3,(H,37,40);1-13,21-22H,14-20,23-24H2,(H,36,38);5-11,18-19,22H,4,12-17,20-21H2,1-3H3,(H,32,35);4-10,17-18,21H,3,11-16,19-20H2,1-2H3,(H,31,33);3-9,16,18,20H,10-15,17,19H2,1-2H3,(H,31,34);3-10,18-19H,2,11-17,20H2,1H3,(H,31,33);2-8,15,17,19H,9-14,16,18H2,1H3,(H,30,32)
InChIKeyGYRHTOULXQWTOV-UHFFFAOYSA-N
MW3551.26 g/mol
LogP30.61
Rot. Bonds73

About 2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide

2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 158405821) has the molecular formula C209H239Cl2F3N24O21 and a molecular weight of 3551.26 g/mol. Its IUPAC name is 2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide
PubChem CID158405821
Molecular FormulaC209H239Cl2F3N24O21
Molecular Weight3551.26 g/mol
Exact Mass3547.77
IUPAC Name2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1CNC(=O)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cn1.CCc1cc(OCCN2CCN(C)CC2)ccc1-c1ccc(CC(=O)NCc2cccc(C)c2)nc1.CCc1cc(OCCN2CCOCC2)ccc1-c1ccc(CC(=O)NCc2cccc(C)c2)nc1.CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4OCc4ccccc4)nc3)c(F)c2)CC1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3Cl)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3Cl)cn2)c1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cn1)NCc1ccccc1OCc1ccccc1
InChIInChI=1S/C34H37FN4O3.C33H34FN3O4.C30H38N4O2.C29H35N3O3.C28H33ClN4O2.C28H32FN3O4.C27H30ClN3O3/c1-38-15-17-39(18-16-38)19-20-41-30-13-14-31(32(35)22-30)27-11-12-29(36-23-27)21-34(40)37-24-28-9-5-6-10-33(28)42-25-26-7-3-2-4-8-26;34-31-21-29(40-19-16-37-14-17-39-18-15-37)12-13-30(31)26-10-11-28(35-22-26)20-33(38)36-23-27-8-4-5-9-32(27)41-24-25-6-2-1-3-7-25;1-4-25-19-28(36-17-16-34-14-12-33(3)13-15-34)10-11-29(25)26-8-9-27(31-22-26)20-30(35)32-21-24-7-5-6-23(2)18-24;1-3-24-18-27(35-16-13-32-11-14-34-15-12-32)9-10-28(24)25-7-8-26(30-21-25)19-29(33)31-20-23-6-4-5-22(2)17-23;1-21-4-3-5-22(16-21)19-31-28(34)17-24-7-6-23(20-30-24)26-9-8-25(18-27(26)29)35-15-14-33-12-10-32(2)11-13-33;1-2-35-27-6-4-3-5-22(27)20-31-28(33)17-23-8-7-21(19-30-23)25-10-9-24(18-26(25)29)36-16-13-32-11-14-34-15-12-32;1-20-3-2-4-21(15-20)18-30-27(32)16-23-6-5-22(19-29-23)25-8-7-24(17-26(25)28)34-14-11-31-9-12-33-13-10-31/h2-14,22-23H,15-21,24-25H2,1H3,(H,37,40);1-13,21-22H,14-20,23-24H2,(H,36,38);5-11,18-19,22H,4,12-17,20-21H2,1-3H3,(H,32,35);4-10,17-18,21H,3,11-16,19-20H2,1-2H3,(H,31,33);3-9,16,18,20H,10-15,17,19H2,1-2H3,(H,31,34);3-10,18-19H,2,11-17,20H2,1H3,(H,31,33);2-8,15,17,19H,9-14,16,18H2,1H3,(H,30,32)
InChIKeyGYRHTOULXQWTOV-UHFFFAOYSA-N
XLogP30.61
TPSA455.55 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds73
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003551.26
LogP ≤ 530.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Analyze 2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide
CID 159739530
2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58450455
2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 58190300
N-[(3-fluorophenyl)methyl]-2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 24944841
1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one
CID 157296923
2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58450470
N-benzyl-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]acetamide
CID 59000720
2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 58795751
2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58190221
2-[4-[4-fluoro-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58190184
N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide
CID 166626298
N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;methane;methyl 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetate;phenylmethanamine
CID 158207902

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide (CID 158405821) is 2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide is CCOc1ccccc1CNC(=O)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cn1.CCc1cc(OCCN2CCN(C)CC2)ccc1-c1ccc(CC(=O)NCc2cccc(C)c2)nc1.CCc1cc(OCCN2CCOCC2)ccc1-c1ccc(CC(=O)NCc2cccc(C)c2)nc1.CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4OCc4ccccc4)nc3)c(F)c2)CC1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3Cl)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3Cl)cn2)c1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)cn1)NCc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is GYRHTOULXQWTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37FN4O3.C33H34FN3O4.C30H38N4O2.C29H35N3O3.C28H33ClN4O2.C28H32FN3O4.C27H30ClN3O3/c1-38-15-17-39(18-16-38)19-20-41-30-13-14-31(32(35)22-30)27-11-12-29(36-23-27)21-34(40)37-24-28-9-5-6-10-33(28)42-25-26-7-3-2-4-8-26;34-31-21-29(40-19-16-37-14-17-39-18-15-37)12-13-30(31)26-10-11-28(35-22-26)20-33(38)36-23-27-8-4-5-9-32(27)41-24-25-6-2-1-3-7-25;1-4-25-19-28(36-17-16-34-14-12-33(3)13-15-34)10-11-29(25)26-8-9-27(31-22-26)20-30(35)32-21-24-7-5-6-23(2)18-24;1-3-24-18-27(35-16-13-32-11-14-34-15-12-32)9-10-28(24)25-7-8-26(30-21-25)19-29(33)31-20-23-6-4-5-22(2)17-23;1-21-4-3-5-22(16-21)19-31-28(34)17-24-7-6-23(20-30-24)26-9-8-25(18-27(26)29)35-15-14-33-12-10-32(2)11-13-33;1-2-35-27-6-4-3-5-22(27)20-31-28(33)17-23-8-7-21(19-30-23)25-10-9-24(18-26(25)29)36-16-13-32-11-14-34-15-12-32;1-20-3-2-4-21(15-20)18-30-27(32)16-23-6-5-22(19-29-23)25-8-7-24(17-26(25)28)34-14-11-31-9-12-33-13-10-31/h2-14,22-23H,15-21,24-25H2,1H3,(H,37,40);1-13,21-22H,14-20,23-24H2,(H,36,38);5-11,18-19,22H,4,12-17,20-21H2,1-3H3,(H,32,35);4-10,17-18,21H,3,11-16,19-20H2,1-2H3,(H,31,33);3-9,16,18,20H,10-15,17,19H2,1-2H3,(H,31,34);3-10,18-19H,2,11-17,20H2,1H3,(H,31,33);2-8,15,17,19H,9-14,16,18H2,1H3,(H,30,32).
What are the key properties of 2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide?
2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 3551.26 g/mol, XLogP of 30.61, 73 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(2-ethoxyphenyl)methyl]-2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide;2-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-N-[(2-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 158405821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).